mcpdft::HDF5Client Class Reference

#include <HDF5Client.h>

Public Types
enum	factory_mode { READ, WRITE }
	factory modes More...

Public Member Functions
	HDF5Client ()
	constructor More...
	~HDF5Client ()
	destructor More...
void	factory_client (H5D_layout_t layout, factory_mode mode, const arma::mat &D1a, const arma::mat &D1b, const arma::mat &D2ab)
	HDF5 factory client. More...
void	set_factory_layout (const H5D_layout_t layout)
	setting out factory layout More...
H5D_layout_t	get_factory_layout () const
	getting factory layout More...
arma::mat	get_D1a () const
	get alpha-spin 1-electron reduced-density matrix More...
arma::mat	get_D1b () const
	get beta-spin 1-electron reduced-density matrix More...
arma::mat	get_D2ab () const
	get alpha-beta spin-block of the 2-electron reduced-density matrix More...
void	set_D1a (const arma::mat &D1a)
	set alpha-spin 1-electron reduced-density matrix More...
void	set_D1b (const arma::mat &D1b)
	set beta-spin 1-electron reduced-density matrix More...
void	set_D2ab (const arma::mat &D2ab)
	set alpha-beta spin-block of the 2-electron reduced-density matrix More...

Private Attributes
H5D_layout_t	layout_
	HDF5 factory (layout) type. More...
std::string	factory_mode_
	factory mode (READ and WRITE) More...
arma::mat	D1a_
	alpha-spin 1-electron reduced-density matrix More...
arma::mat	D1b_
	alpha-spin 1-electron reduced-density matrix More...
arma::mat	D2ab_
	alpha-beta spin-block of the 2-electron reduced-density matrix More...

Member Enumeration Documentation

enum mcpdft::HDF5Client::factory_mode

factory modes

Enumerator
READ
WRITE

Constructor & Destructor Documentation

mcpdft::HDF5Client::HDF5Client

(

)

constructor

mcpdft::HDF5Client::~HDF5Client

(

)

destructor

Member Function Documentation

void mcpdft::HDF5Client::factory_client	(	H5D_layout_t	layout,
		factory_mode	mode,
		const arma::mat &	D1a,
		const arma::mat &	D1b,
		const arma::mat &	D2ab
	)

HDF5 factory client.

arma::mat mcpdft::HDF5Client::get_D1a

(

)

const

get alpha-spin 1-electron reduced-density matrix

arma::mat mcpdft::HDF5Client::get_D1b

(

)

const

get beta-spin 1-electron reduced-density matrix

arma::mat mcpdft::HDF5Client::get_D2ab

(

)

const

get alpha-beta spin-block of the 2-electron reduced-density matrix

H5D_layout_t mcpdft::HDF5Client::get_factory_layout

(

)

const

getting factory layout

void mcpdft::HDF5Client::set_D1a

(

const arma::mat &

D1a

)

set alpha-spin 1-electron reduced-density matrix

void mcpdft::HDF5Client::set_D1b

(

const arma::mat &

D1b

)

set beta-spin 1-electron reduced-density matrix

void mcpdft::HDF5Client::set_D2ab

(

const arma::mat &

D2ab

)

set alpha-beta spin-block of the 2-electron reduced-density matrix

void mcpdft::HDF5Client::set_factory_layout

(

const H5D_layout_t

layout

)

setting out factory layout

Member Data Documentation

arma::mat mcpdft::HDF5Client::D1a_

private

alpha-spin 1-electron reduced-density matrix

arma::mat mcpdft::HDF5Client::D1b_

private

alpha-spin 1-electron reduced-density matrix

arma::mat mcpdft::HDF5Client::D2ab_

private

alpha-beta spin-block of the 2-electron reduced-density matrix

std::string mcpdft::HDF5Client::factory_mode_

private

factory mode (READ and WRITE)

H5D_layout_t mcpdft::HDF5Client::layout_

private

HDF5 factory (layout) type.

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

• /home/travis/build/SinaMostafanejad/OpenRDM/src/libio/HDF5Client.h
• /home/travis/build/SinaMostafanejad/OpenRDM/src/libio/HDF5Client.cc