#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.

Classes
class	Impl
	Private implementation class for LocalAtomSetManager. More...

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] globalAtomIndex Indices of the atoms to be managed

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