Class to get the gost and locally owned enrichment ids from the renumbered atom ids in Atom Partition i.e. memory layout should be 'locally owned enrichment ids which would be contiguous' -> 'ghost enrichment ids' The class gives us the vector of cell enrichment Ids, locallyowned enrichment ids range, ghost enrichment ids. More...

#include <EnrichmentIdsPartition.h>

Public Member Functions
	EnrichmentIdsPartition (std::shared_ptr< const atoms::AtomSphericalDataContainer > atomSphericalDataContainer, std::shared_ptr< const AtomIdsPartition< dim > > atomIdsPartition, const std::vector< std::string > &atomSymbol, const std::vector< utils::Point > &atomCoordinates, const std::string fieldName, const std::vector< double > &minbound, const std::vector< double > &maxbound, double additionalCutoff, const std::vector< utils::Point > &globalDomainBoundVec, const std::vector< bool > &isPeriodicFlags, const std::vector< std::vector< utils::Point > > &cellVerticesVector, const utils::mpi::MPIComm &comm)
	Constructor takes as coordinates of the atomids , vector of aomsymbol from the input file with the processor maximum and minimum bounds. It also takes the cell vertices vector and the fieldname. More...

	~EnrichmentIdsPartition ()=default
	Destructor. More...

std::vector< global_size_type >	newAtomIdToEnrichmentIdOffset () const

std::vector< std::vector< global_size_type > >	overlappingEnrichmentIdsInCells () const

std::pair< global_size_type, global_size_type >	locallyOwnedEnrichmentIds () const

std::vector< global_size_type >	ghostEnrichmentIds () const

size_type	getAtomId (const global_size_type enrichmentId) const

EnrichmentIdAttribute	getEnrichmentIdAttribute (const global_size_type enrichmentId) const

size_type	nLocallyOwnedEnrichmentIds () const

size_type	nLocalEnrichmentIds () const

global_size_type	nTotalEnrichmentIds () const

Private Attributes
std::vector< global_size_type >	d_newAtomIdToEnrichmentIdOffset

std::vector< std::vector< global_size_type > >	d_overlappingEnrichmentIdsInCells

std::vector< global_size_type >	d_enrichmentIdsInProcessor

std::pair< global_size_type, global_size_type >	d_locallyOwnedEnrichmentIds

std::vector< global_size_type >	d_ghostEnrichmentIds

std::map< global_size_type, size_type >	d_enrichmentIdToOldAtomIdMap

std::map< global_size_type, size_type >	d_enrichmentIdToQuantumIdMap

Detailed Description

template<unsigned int dim>
class dftefe::basis::EnrichmentIdsPartition< dim >

Class to get the gost and locally owned enrichment ids from the renumbered atom ids in Atom Partition i.e. memory layout should be 'locally owned enrichment ids which would be contiguous' -> 'ghost enrichment ids' The class gives us the vector of cell enrichment Ids, locallyowned enrichment ids range, ghost enrichment ids.

Constructor & Destructor Documentation

◆ EnrichmentIdsPartition()

template<unsigned int dim>

dftefe::basis::EnrichmentIdsPartition< dim >::EnrichmentIdsPartition	(	std::shared_ptr< const atoms::AtomSphericalDataContainer >	atomSphericalDataContainer,
		std::shared_ptr< const AtomIdsPartition< dim > >	atomIdsPartition,
		const std::vector< std::string > &	atomSymbol,
		const std::vector< utils::Point > &	atomCoordinates,
		const std::string	fieldName,
		const std::vector< double > &	minbound,
		const std::vector< double > &	maxbound,
		double	additionalCutoff,
		const std::vector< utils::Point > &	globalDomainBoundVec,
		const std::vector< bool > &	isPeriodicFlags,
		const std::vector< std::vector< utils::Point > > &	cellVerticesVector,
		const utils::mpi::MPIComm &	comm
	)

Constructor takes as coordinates of the atomids , vector of aomsymbol from the input file with the processor maximum and minimum bounds. It also takes the cell vertices vector and the fieldname.

Parameters

[in]	atomIdsPartition	Object of class AtomIdsPartition
[in]	atomSphericalDataContainer	Object of class AtomSphericalDataContainer
[in]	atomCoordinates	Vector of Coordinates of the atoms
[in]	fieldName	Fieldname wanted
[in]	minbound	Minimum boundary of the processor
[in]	maxbound	Maximum boundary of the processor
[in]	cellVerticesVector	vector of vectors of all the coordinates of the locally owned cells in the processor
[in]	comm	MPI_Comm object if defined with MPI

Returns

◆ ~EnrichmentIdsPartition()

template<unsigned int dim>

dftefe::basis::EnrichmentIdsPartition< dim >::~EnrichmentIdsPartition ( )

default

Destructor.

Member Function Documentation

◆ getAtomId()

template<unsigned int dim>

size_type dftefe::basis::EnrichmentIdsPartition< dim >::getAtomId ( const global_size_type enrichmentId ) const

◆ getEnrichmentIdAttribute()

template<unsigned int dim>

EnrichmentIdAttribute dftefe::basis::EnrichmentIdsPartition< dim >::getEnrichmentIdAttribute ( const global_size_type enrichmentId ) const

◆ ghostEnrichmentIds()

template<unsigned int dim>

std::vector< global_size_type > dftefe::basis::EnrichmentIdsPartition< dim >::ghostEnrichmentIds

◆ locallyOwnedEnrichmentIds()

template<unsigned int dim>

std::pair< global_size_type, global_size_type > dftefe::basis::EnrichmentIdsPartition< dim >::locallyOwnedEnrichmentIds

◆ newAtomIdToEnrichmentIdOffset()

template<unsigned int dim>

std::vector< global_size_type > dftefe::basis::EnrichmentIdsPartition< dim >::newAtomIdToEnrichmentIdOffset

◆ nLocalEnrichmentIds()

template<unsigned int dim>

size_type dftefe::basis::EnrichmentIdsPartition< dim >::nLocalEnrichmentIds

◆ nLocallyOwnedEnrichmentIds()

template<unsigned int dim>

size_type dftefe::basis::EnrichmentIdsPartition< dim >::nLocallyOwnedEnrichmentIds

◆ nTotalEnrichmentIds()

template<unsigned int dim>

global_size_type dftefe::basis::EnrichmentIdsPartition< dim >::nTotalEnrichmentIds

◆ overlappingEnrichmentIdsInCells()

template<unsigned int dim>

std::vector< std::vector< global_size_type > > dftefe::basis::EnrichmentIdsPartition< dim >::overlappingEnrichmentIdsInCells

Member Data Documentation

◆ d_enrichmentIdsInProcessor

template<unsigned int dim>

std::vector<global_size_type> dftefe::basis::EnrichmentIdsPartition< dim >::d_enrichmentIdsInProcessor

private

◆ d_enrichmentIdToOldAtomIdMap

template<unsigned int dim>

std::map<global_size_type, size_type> dftefe::basis::EnrichmentIdsPartition< dim >::d_enrichmentIdToOldAtomIdMap

private

◆ d_enrichmentIdToQuantumIdMap

template<unsigned int dim>

std::map<global_size_type, size_type> dftefe::basis::EnrichmentIdsPartition< dim >::d_enrichmentIdToQuantumIdMap

private

◆ d_ghostEnrichmentIds

template<unsigned int dim>

std::vector<global_size_type> dftefe::basis::EnrichmentIdsPartition< dim >::d_ghostEnrichmentIds

private

◆ d_locallyOwnedEnrichmentIds

template<unsigned int dim>

std::pair<global_size_type, global_size_type> dftefe::basis::EnrichmentIdsPartition< dim >::d_locallyOwnedEnrichmentIds

private

◆ d_newAtomIdToEnrichmentIdOffset

template<unsigned int dim>

std::vector<global_size_type> dftefe::basis::EnrichmentIdsPartition< dim >::d_newAtomIdToEnrichmentIdOffset

private

The data members are as follows.

◆ d_overlappingEnrichmentIdsInCells

template<unsigned int dim>

std::vector<std::vector<global_size_type> > dftefe::basis::EnrichmentIdsPartition< dim >::d_overlappingEnrichmentIdsInCells

private

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

src/basis/EnrichmentIdsPartition.h
src/basis/EnrichmentIdsPartition.t.cpp

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ EnrichmentIdsPartition()

◆ ~EnrichmentIdsPartition()

Member Function Documentation

◆ getAtomId()

◆ getEnrichmentIdAttribute()

◆ ghostEnrichmentIds()

◆ locallyOwnedEnrichmentIds()

◆ newAtomIdToEnrichmentIdOffset()

◆ nLocalEnrichmentIds()

◆ nLocallyOwnedEnrichmentIds()

◆ nTotalEnrichmentIds()

◆ overlappingEnrichmentIdsInCells()

Member Data Documentation

◆ d_enrichmentIdsInProcessor

◆ d_enrichmentIdToOldAtomIdMap

◆ d_enrichmentIdToQuantumIdMap

◆ d_ghostEnrichmentIds

◆ d_locallyOwnedEnrichmentIds

◆ d_newAtomIdToEnrichmentIdOffset

◆ d_overlappingEnrichmentIdsInCells