#include <Distribute_EV.h>

Inheritance diagram for Distribute_EV_List:

Collaboration diagram for Distribute_EV_List:

Public Member Functions
std::vector< std::complex< double > > &	operator[] (int i)

const std::vector< std::complex< double > > &	operator[] (int i) const

bool	orbitals_are_set_up () const
	check if orbitals are set up

void	setup_orbitals (const std::string &materialdir, const std::string &positionfile)
	setup: which atom as which orbitals? (info contained in positionfile)

void	read (const std::string &materialdir, const std::string &positionfile, const std::string &filename_pattern, int nr)
	read: orbitals + content

void	setup (Parameter_Map &param_map)
	call read with parameters in param_map

	Distribute_EV_List (const std::string &materialdir, const std::string &positionfile, const std::string &filename_pattern, int nr)

	Distribute_EV_List (Parameter_Map &param_map)

Public Member Functions inherited from Distribute_Block_MPI
virtual void	print () const

void	initialize (MPI_Comm comm, size_t total_size_)

	Distribute_Block_MPI (MPI_Comm comm, size_t total_size_)

Public Member Functions inherited from Distribute_Block_Local
size_t	get_block () const

size_t	get_local_start () const

size_t	get_local_blocksize () const

size_t	get_local_end () const

	Distribute_Block_Local (size_t totalsize=0)

Public Member Functions inherited from Distribute_Block
size_t	get_total_size () const

size_t	get_nr_blocks () const

size_t	get_floor_blocksize () const

size_t	get_blocksize (size_t bl) const

size_t	get_start (size_t bl) const

size_t	lookup_element (size_t el) const

void	initialize (size_t total_size_, size_t nr_blocks_)

	Distribute_Block (size_t total_size_=0, size_t nr_blocks_=1)

Public Attributes
size_t	max_nr_orbs_per_atom

std::vector< std::vector< std::complex< double > > >	data

Select_Orbitals_List	orblist
	list possible number of orbitals on the elements used

std::vector< int >	which_orb
	index in orblist (size: nr local atoms=get_local_blocksize())

Public Attributes inherited from Distribute_Block_Local
size_t	block

Detailed Description

Class to store eigenvectors across different MPI node. Each node gets a portion of each eigenvector, where each node is responsible for the atoms associated to it.

NOTE: different numbers of orbitals for different elements makes reverse lookup hard and is not too common. -> We assume a uniform number of orbitals per element (largest of all element) and zero-pad if necessary.

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

/home/moritz/QNANO_PRODUCTION/qnano_new/include/MPI/Distribute_EV.h
/home/moritz/QNANO_PRODUCTION/qnano_new/sources/MPI/Distribute_EV.cc

Public Member Functions

Public Attributes

Detailed Description