ESPResSo 3.2.0-159-gf5c8922-git
Extensible Simulation Package for Soft Matter Research
Data Fields
IA_Neighbor_List Struct Reference

#include <domain_decomposition.h>

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Data Fields

int n_neighbors
 number of interacting neighbor cells .
IA_NeighbornList
 Interacting neighbor cell list.

Detailed Description

Definition at line 76 of file domain_decomposition.h.


Field Documentation

number of interacting neighbor cells .

A word about the interacting neighbor cells:

In a 3D lattice each cell has 27 neighbors (including itself!). Since we deal with pair forces, it is sufficient to calculate only half of the interactions (Newtons law: actio = reactio). For each cell 13+1=14 neighbors. This has only to be done for the inner cells.

Caution: This implementation needs double sided ghost communication! For single sided ghost communication one would need some ghost-ghost cell interaction as well, which we do not need!

It follows: inner cells: n_neighbors = 14 ghost cells: n_neighbors = 0

Definition at line 95 of file domain_decomposition.h.

Referenced by aggregation(), build_verlet_lists(), build_verlet_lists_and_calc_verlet_ia(), build_verlet_lists_and_calc_verlet_ia_iccp3m(), calc_link_cell(), calc_link_cell_iccp3m(), calculate_link_cell_energies(), calculate_link_cell_virials(), calculate_verlet_energies(), calculate_verlet_ia(), calculate_verlet_ia_iccp3m(), calculate_verlet_virials(), dd_init_cell_interactions(), dd_topology_release(), integrate_reaction(), and local_stress_tensor_calc().


The documentation for this struct was generated from the following file: