gmx::LocalAtomSetManager Class Reference

#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]

globalAtomIndex

Indices of the atoms to be managed

Returns

Handle to LocalAtomSet.

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

• src/gromacs/domdec/localatomsetmanager.h
• src/gromacs/domdec/localatomsetmanager.cpp
• src/gromacs/domdec/tests/localatomsetmanager.cpp
• src/gromacs/pulling/pull.cpp
• src/gromacs/pulling/pull_rotation.cpp
• src/gromacs/swap/swapcoords.cpp