dftefe::basis::AtomIdsPartitionInternal Namespace Reference

Functions
template<unsigned int dim>
void	getOverlappingAtomIdsInBox (std::vector< size_type > &atomIds, const std::vector< utils::Point > &atomCoordinates, const std::vector< double > &minbound, const std::vector< double > &maxbound, const double tolerance, const utils::mpi::MPIComm &comm)
template<unsigned int dim>
void	getOverlappingAtomIdsInCells (std::vector< std::vector< size_type > > &overlappingAtomIdsInCells, std::vector< size_type > &atomIds, const std::vector< utils::Point > &atomCoordinates, const std::vector< double > &minbound, const std::vector< double > &maxbound, const std::vector< std::vector< utils::Point > > &cellVerticesVector, const double tolerance, const utils::mpi::MPIComm &comm)
template<unsigned int dim>
void	getLocalAtomIds (std::vector< size_type > &atomIdsInProcessor, std::vector< std::vector< size_type > > &overlappingAtomIdsInCells, const std::vector< utils::Point > &atomCoordinates, const std::vector< double > &minbound, const std::vector< double > &maxbound, const std::vector< std::vector< utils::Point > > &cellVerticesVector, const double tolerance, const utils::mpi::MPIComm &comm)
template<unsigned int dim>
void	getNAtomIdsInProcessor (std::vector< size_type > &atomIdsInProcessor, std::vector< size_type > &nAtomIdsInProcessor, std::vector< size_type > &nAtomIdsInProcessorCumulative, const utils::mpi::MPIComm &comm, const int nProcs)
template<unsigned int dim>
void	renumberAtomIds (std::vector< size_type > &oldAtomIds, std::vector< size_type > &newAtomIds, std::vector< size_type > &nAtomIdsInProcessorCumulative, std::vector< size_type > &atomIdsInProcessor, const std::vector< utils::Point > &atomCoordinates, const utils::mpi::MPIComm &comm, const int nProcs)

Function Documentation

getLocalAtomIds()

template<unsigned int dim>

void dftefe::basis::AtomIdsPartitionInternal::getLocalAtomIds	(	std::vector< size_type > &	atomIdsInProcessor,
		std::vector< std::vector< size_type > > &	overlappingAtomIdsInCells,
		const std::vector< utils::Point > &	atomCoordinates,
		const std::vector< double > &	minbound,
		const std::vector< double > &	maxbound,
		const std::vector< std::vector< utils::Point > > &	cellVerticesVector,
		const double	tolerance,
		const utils::mpi::MPIComm &	comm
	)

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getNAtomIdsInProcessor()

template<unsigned int dim>

void dftefe::basis::AtomIdsPartitionInternal::getNAtomIdsInProcessor	(	std::vector< size_type > &	atomIdsInProcessor,
		std::vector< size_type > &	nAtomIdsInProcessor,
		std::vector< size_type > &	nAtomIdsInProcessorCumulative,
		const utils::mpi::MPIComm &	comm,
		const int	nProcs
	)

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getOverlappingAtomIdsInBox()

template<unsigned int dim>

void dftefe::basis::AtomIdsPartitionInternal::getOverlappingAtomIdsInBox	(	std::vector< size_type > &	atomIds,
		const std::vector< utils::Point > &	atomCoordinates,
		const std::vector< double > &	minbound,
		const std::vector< double > &	maxbound,
		const double	tolerance,
		const utils::mpi::MPIComm &	comm
	)

getOverlappingAtomIdsInCells()

template<unsigned int dim>

void dftefe::basis::AtomIdsPartitionInternal::getOverlappingAtomIdsInCells	(	std::vector< std::vector< size_type > > &	overlappingAtomIdsInCells,
		std::vector< size_type > &	atomIds,
		const std::vector< utils::Point > &	atomCoordinates,
		const std::vector< double > &	minbound,
		const std::vector< double > &	maxbound,
		const std::vector< std::vector< utils::Point > > &	cellVerticesVector,
		const double	tolerance,
		const utils::mpi::MPIComm &	comm
	)

renumberAtomIds()

template<unsigned int dim>

void dftefe::basis::AtomIdsPartitionInternal::renumberAtomIds	(	std::vector< size_type > &	oldAtomIds,
		std::vector< size_type > &	newAtomIds,
		std::vector< size_type > &	nAtomIdsInProcessorCumulative,
		std::vector< size_type > &	atomIdsInProcessor,
		const std::vector< utils::Point > &	atomCoordinates,
		const utils::mpi::MPIComm &	comm,
		const int	nProcs
	)

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