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#include <gromacs/domdec/localatomsetmanager.h>

Description

Hands out handles to local atom set indices and triggers index recalculation for all sets upon domain decomposition if run in parallel.

Public Member Functions

LocalAtomSet add (ArrayRef< const index > globalAtomIndex)
 Add a new atom set to be managed and give back a handle. More...
 
void setIndicesInDomainDecomposition (const gmx_ga2la_t &ga2la)
 Recalculate local and collective indices from ga2la. Uses global atom to local atom lookup structure to update atom indices.
 

Member Function Documentation

template LocalAtomSet gmx::LocalAtomSetManager::add< void, void > ( ArrayRef< const index globalAtomIndex)

Add a new atom set to be managed and give back a handle.

Parameters
[in]globalAtomIndexIndices of the atoms to be managed
Returns
Handle to LocalAtomSet.

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