# public espressomd /espresso

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 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 /* Copyright (C) 2010,2012 The ESPResSo project Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010 Max-Planck-Institute for Polymer Research, Theory Group This file is part of ESPResSo. ESPResSo is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. ESPResSo is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program. If not, see . *//** \file layered.h The layered cellsystem. This cellsystem is a combination of a single processor n-squared method along x and y, and a multiprocessor domain decomposition along z. Therefore only \f$1\times 1\times N\f$ processors grids are allowed for this cellsystem. The implementation is pretty similar to \ref domain_decomposition.h "domain_decomposition.h".*/#ifndef LAYERED_H#define LAYERED_H#include "cells.h"/** number of layers, i. e. cells, per node */extern int n_layers, determine_n_layers;/** height of the layers, i. e. box_l[2]/n_nodes */extern double layer_h, layer_h_i;/** map a position to a cell, if on this node, else returns NULL. */Cell *layered_position_to_cell(double pos[3]);/// free all data structure that belong to this cell systemvoid layered_topology_release();/// initialize the layered cell system and sort in the particlesvoid layered_topology_init(CellPList *local);/// distribute all particles such that they are in their dedicated cellvoid layered_exchange_and_sort_particles(int global_flag);/// calculate short ranged forcesvoid layered_calculate_ia();/// calculate short ranged energyvoid layered_calculate_energies();/// calculate short ranged virialsvoid layered_calculate_virials(int v_comp);/// calculate the minimum image vectorvoid layered_get_mi_vector(double res[3], double a[3], double b[3]);#endif
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