The DomainDecompositionAdress is the Domain Decomposition for AdResS and H- AdResS simulations. It makes sure that tuples (i.e. a coarse-grained particle and its corresponding atomistic particles) are always stored together on one CPU. When setting DomainDecompositionAdress you have to provide the system as well as the nodegrid and the cellgrid.
Example - setting DomainDecompositionAdress:
>>> system.storage = espressopp.storage.DomainDecompositionAdress(system, nodeGrid, cellGrid)
DomainDecompositionAdress(system, nodeGrid, cellGrid, halfCellInt)¶
- system –
- nodeGrid –
- cellGrid –
- halfCellInt (int) – controls the use of half-cells (value 2), third-cells (value 3) or higher. Implicit value 1 for full cells (normal functionality).