dftefe::basis::AtomIdsPartition< dim > Class Template Reference

Class to get the renumbered Ids of the locally owned Atom ids returns the vector of no of atoms in each processor and the vector of old atom ids. so oldatomid(0) = 2 and so on. So also newatomid(2) = 0; but you do not need to store as oldatomid vector is same as newatomid i.e. memory layout should be 'locally owned enriched ids' should be consecutive integers. More...

#include <AtomIdsPartition.h>

Public Member Functions
	AtomIdsPartition (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)
	Constructor takes as coordinates of the atomids from the input file with the processor maximum and minimum bounds. It also takes the cell vertices vector. More...
	~AtomIdsPartition ()=default
	Destructor for the class. More...
std::vector< size_type >	nAtomIdsInProcessor () const
	Function to return the vector of number of atoms in each processor. More...
std::vector< size_type >	nAtomIdsInProcessorCumulative () const
	Function to return the vector of cumulative number of atoms in each processor. More...
std::vector< size_type >	oldAtomIds () const
	Function to return the vector of old atom ids i.e. oldAtomIds[newatomid] = oldatomid. More...
std::vector< size_type >	newAtomIds () const
	Function to return the vector of new atom ids i.e. newAtomIds[oldatomid] = newatomid. More...
std::vector< size_type >	locallyOwnedAtomIds () const
	Function to return the vector of locally owned atom is in each processor. More...

Private Attributes
std::vector< size_type >	d_nAtomIdsInProcessor
std::vector< size_type >	d_nAtomIdsInProcessorCumulative
std::vector< size_type >	d_oldAtomIds
std::vector< size_type >	d_newAtomIds
std::vector< size_type >	d_atomIdsInProcessor

Detailed Description

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

Class to get the renumbered Ids of the locally owned Atom ids returns the vector of no of atoms in each processor and the vector of old atom ids. so oldatomid(0) = 2 and so on. So also newatomid(2) = 0; but you do not need to store as oldatomid vector is same as newatomid i.e. memory layout should be 'locally owned enriched ids' should be consecutive integers.

Constructor & Destructor Documentation

AtomIdsPartition()

template<unsigned int dim>

dftefe::basis::AtomIdsPartition< dim >::AtomIdsPartition	(	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
	)

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

Parameters

[in]	atomCoordinates	Vector of Coordinates of the atoms
[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]	tolerance	set the tolerance for partitioning the atomids
[in]	comm	MPI_Comm object if defined with MPI
[in]	nProcs	Number of processors if defined with MPI

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~AtomIdsPartition()

template<unsigned int dim>

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

default

Destructor for the class.

Member Function Documentation

locallyOwnedAtomIds()

template<unsigned int dim>

std::vector< size_type > dftefe::basis::AtomIdsPartition< dim >::locallyOwnedAtomIds

Function to return the vector of locally owned atom is in each processor.

nAtomIdsInProcessor()

template<unsigned int dim>

std::vector< size_type > dftefe::basis::AtomIdsPartition< dim >::nAtomIdsInProcessor

Function to return the vector of number of atoms in each processor.

nAtomIdsInProcessorCumulative()

template<unsigned int dim>

std::vector< size_type > dftefe::basis::AtomIdsPartition< dim >::nAtomIdsInProcessorCumulative

Function to return the vector of cumulative number of atoms in each processor.

newAtomIds()

template<unsigned int dim>

std::vector< size_type > dftefe::basis::AtomIdsPartition< dim >::newAtomIds

Function to return the vector of new atom ids i.e. newAtomIds[oldatomid] = newatomid.

oldAtomIds()

template<unsigned int dim>

std::vector< size_type > dftefe::basis::AtomIdsPartition< dim >::oldAtomIds

Function to return the vector of old atom ids i.e. oldAtomIds[newatomid] = oldatomid.

Member Data Documentation

d_atomIdsInProcessor

template<unsigned int dim>

std::vector<size_type> dftefe::basis::AtomIdsPartition< dim >::d_atomIdsInProcessor

private

d_nAtomIdsInProcessor

template<unsigned int dim>

std::vector<size_type> dftefe::basis::AtomIdsPartition< dim >::d_nAtomIdsInProcessor

private

d_nAtomIdsInProcessorCumulative

template<unsigned int dim>

std::vector<size_type> dftefe::basis::AtomIdsPartition< dim >::d_nAtomIdsInProcessorCumulative

private

d_newAtomIds

template<unsigned int dim>

std::vector<size_type> dftefe::basis::AtomIdsPartition< dim >::d_newAtomIds

private

d_oldAtomIds

template<unsigned int dim>

std::vector<size_type> dftefe::basis::AtomIdsPartition< dim >::d_oldAtomIds

private

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

• src/basis/AtomIdsPartition.h
• src/basis/AtomIdsPartition.t.cpp