#include <gromacs/domdec/atomdistribution.h>

Description

Distribution of atom groups over the domain (only available on the main rank)

Classes
struct	DomainAtomGroups
	Collection of local group and atom counts for a domain. More...

Public Member Functions
	AtomDistribution (const ivec numCells, int numAtomGroups, int numAtoms)
	Constructor.

Public Attributes
std::vector< DomainAtomGroups >	domainGroups
	Group and atom division over ranks/domains.

std::vector< int >	atomGroups
	The atom group division of the whole system, pointed into by counts[].atomGroups.

std::array< std::vector< real > , DIM >	cellSizesBuffer
	Cell boundaries, sizes: num_cells_in_dim + 1.

std::vector< int >	intBuffer
	Buffer for communicating cg and atom counts.

std::vector< gmx::RVec >	rvecBuffer
	Buffer for state scattering and gathering.

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

Classes