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AtomDistribution Struct Reference

#include <gromacs/domdec/atomdistribution.h>

Description

Distribution of atom groups over the domain (only available on the master 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< DomainAtomGroupsdomainGroups
 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 >, 3 > cellSizesBuffer
 Cell boundaries, sizes: num_cells_in_dim + 1.
 
std::vector< int > intBuffer
 Buffer for communicating cg and atom counts.
 
std::vector< gmx::RVecrvecBuffer
 Buffer for state scattering and gathering.
 

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