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ESPResSo 3.2.0-159-gf5c8922-git
Extensible Simulation Package for Soft Matter Research
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#include <domain_decomposition.h>

Data Fields | |
| int | n_neighbors |
| number of interacting neighbor cells . | |
| IA_Neighbor * | nList |
| Interacting neighbor cell list. | |
Definition at line 76 of file domain_decomposition.h.
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().
Interacting neighbor cell list.
Definition at line 97 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().
1.7.5.1