#include <gromacs/domdec/ga2la.h>

Description

Global to local atom mapping.

Used for efficient mapping from global atom indices to local atom indices in the domain decomposition.

Classes
struct	Entry
	Structure for the local atom info. More...

Public Types
using	DirectList = std::vector< Entry >

using	HashedList = gmx::HashedMap< Entry >

Public Member Functions
	gmx_ga2la_t (int numAtomsTotal, int numAtomsLocal)
	Constructor. More...

void	insert (int a_gl, const Entry &value)
	Inserts an entry, there should not already be an entry for `a_gl`. More...

void	erase (int a_gl)
	Delete the entry for global atom a_gl.

const Entry *	find (int a_gl) const
	Returns a pointer to the entry when present, nullptr otherwise.

const int *	findHome (int a_gl) const
	Returns the local atom index if it is a home atom, nullptr otherwise.

Entry &	at (int a_gl)
	Returns a reference to the entry for a_gl. More...

void	clear (bool resizeHashTable)
	Clear all the entries in the list. More...

Constructor & Destructor Documentation

Constructor.

Parameters

[in]	numAtomsTotal	The total number of atoms in the system
[in]	numAtomsLocal	An estimate of the number of home+communicated atoms

Entry& gmx_ga2la_t::at ( int a_gl )

inline

Returns a reference to the entry for a_gl.

A non-release assert checks that a_gl is present.

void gmx_ga2la_t::clear ( bool resizeHashTable )

Clear all the entries in the list.

Note that this might use OpenMP threading, so it should not be called from within an OpenMP region.

Parameters

[in] resizeHashTable When true the hash table is optimized based on the current number of entries stored

inline

Inserts an entry, there should not already be an entry for a_gl.

Parameters

[in]	a_gl	The global atom index
[in]	value	The value to set for this index

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