EnrichmentIdsPartition.t.cpp File Reference

#include <utils/Point.h>
#include <utils/TypeConfig.h>
#include <set>
#include <string>
#include <vector>
#include <climits>
#include <basis/AtomIdsPartition.h>
#include <atoms/AtomSphericalDataContainer.h>
#include <basis/EnrichmentIdsPartition.h>
#include <utils/Exceptions.h>
#include <utils/MPITypes.h>
#include <utils/MPIWrapper.h>
#include <map>
#include <iterator>

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Namespaces
namespace	dftefe
	dealii includes
namespace	dftefe::basis
namespace	dftefe::basis::EnrichmentIdsPartitionInternal

Functions
template<unsigned int dim>
void	dftefe::basis::EnrichmentIdsPartitionInternal::getNewAtomIdToEnrichmentIdOffset (std::vector< global_size_type > &newAtomIdToEnrichmentIdOffset, std::shared_ptr< const atoms::AtomSphericalDataContainer > atomSphericalDataContainer, std::shared_ptr< const AtomIdsPartition< dim > > atomIdsPartition, const std::vector< std::string > &atomSymbol, const std::string fieldName, const utils::mpi::MPIComm &comm)
template<unsigned int dim>
void	dftefe::basis::EnrichmentIdsPartitionInternal::getLocalEnrichmentIds (std::pair< global_size_type, global_size_type > &locallyOwnedEnrichmentIds, const std::vector< global_size_type > &newAtomIdToEnrichmentIdOffset, std::shared_ptr< const AtomIdsPartition< dim > > atomIdsPartition)
template<unsigned int dim>
void	dftefe::basis::EnrichmentIdsPartitionInternal::getOverlappingAtomIdsInBox (std::vector< size_type > &atomIds, const std::vector< double > &rCutoffMax, const std::vector< utils::Point > &atomCoordinates, const std::vector< double > &minbound, const std::vector< double > &maxbound)
template<unsigned int dim>
void	dftefe::basis::EnrichmentIdsPartitionInternal::getOverlappingEnrichmentIdsInCells (std::vector< std::vector< global_size_type > > &overlappingEnrichmentIdsInCells, const std::vector< size_type > &atomIds, const std::vector< global_size_type > &newAtomIdToEnrichmentIdOffset, 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< bool > &isPeriodicFlags, const std::vector< std::vector< utils::Point > > &cellVerticesVector, const utils::mpi::MPIComm &comm)
template<unsigned int dim>
void	dftefe::basis::EnrichmentIdsPartitionInternal::getGhostEnrichmentIds (std::shared_ptr< const AtomIdsPartition< dim > > atomIdsPartition, std::vector< global_size_type > &enrichmentIdsInProcessor, std::map< global_size_type, size_type > &enrichmentIdToOldAtomIdMap, std::map< global_size_type, size_type > &enrichmentIdToQuantumIdMap, std::vector< global_size_type > &ghostEnrichmentIds, const std::pair< global_size_type, global_size_type > &locallyOwnedEnrichmentIds, const std::vector< std::vector< global_size_type > > &overlappingEnrichmentIdsInCells, const std::vector< global_size_type > &newAtomIdToEnrichmentIdOffset)