doci2DM::SUP Class Reference

#include <SUP.h>

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Public Member Functions
	SUP (int L, int N)
	SUP (const SUP &)
	SUP (SUP &&)
virtual	~SUP ()=default
SUP &	operator= (const SUP &)
SUP &	operator= (SUP &&)
SUP &	operator= (double)
SUP &	operator+= (const SUP &)
SUP &	operator-= (const SUP &)
SUP &	operator*= (double)
SUP &	operator/= (double)
void	dscal (double)
int	gN () const
int	gL () const
TPM const &	getI () const
TPM &	getI ()
TPM const &	getQ () const
TPM &	getQ ()
PHM const &	getG () const
PHM &	getG ()
void	invert ()
void	fill (const TPM &)
void	sqrt (int)
void	L_map (const SUP &, const SUP &)
int	gnr () const
double	ddot (const SUP &) const
void	daxpy (double, const SUP &)
void	sep_pm (SUP &, SUP &)
void	init_S (const Lineq &)
void	WriteToFile (std::string filename) const
void	ReadFromFile (std::string filename)

Private Attributes
int	N
	number of particles More...
int	L
	the size of the sp DOCI space (there are 2*L sp states) More...
std::unique_ptr< TPM >	I
	the RDM matrix More...
std::unique_ptr< TPM >	Q
	the Q matrix More...
std::unique_ptr< PHM >	G
	the G matrix More...

Friends
std::ostream &	operator<< (std::ostream &output, doci2DM::SUP &sup)

Detailed Description

Definition at line 36 of file SUP.h.

Constructor & Destructor Documentation

SUP::SUP	(	int	L,
		int	N
	)

Definition at line 28 of file SUP.cpp.

SUP::SUP

(

const SUP &

orig

)

Definition at line 43 of file SUP.cpp.

SUP::SUP

(

SUP &&

orig

)

Definition at line 58 of file SUP.cpp.

virtual doci2DM::SUP::~SUP ( )

virtualdefault

Member Function Documentation

void SUP::daxpy	(	double	alpha,
		const SUP &	y
	)

Definition at line 323 of file SUP.cpp.

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double SUP::ddot

(

const SUP &

x

)

const

Definition at line 306 of file SUP.cpp.

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void SUP::dscal

(

double

alpha

)

Definition at line 161 of file SUP.cpp.

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void SUP::fill

(

const TPM &

tpm

)

Fill the SUP object with the tpm object

Parameters

tpm	the TPM to use

Definition at line 231 of file SUP.cpp.

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PHM const & SUP::getG

(

)

const

Definition at line 204 of file SUP.cpp.

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PHM & SUP::getG

(

)

Definition at line 209 of file SUP.cpp.

TPM const & SUP::getI

(

)

const

Definition at line 184 of file SUP.cpp.

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TPM & SUP::getI

(

)

Definition at line 189 of file SUP.cpp.

TPM const & SUP::getQ

(

)

const

Definition at line 194 of file SUP.cpp.

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TPM & SUP::getQ

(

)

Definition at line 199 of file SUP.cpp.

int SUP::gL

(

)

const

Definition at line 179 of file SUP.cpp.

int SUP::gN

(

)

const

Definition at line 174 of file SUP.cpp.

int SUP::gnr

(

)

const

Definition at line 270 of file SUP.cpp.

void SUP::init_S

(

const Lineq &

lineq

)

Initialization of the SUP matrix S, is just u^0: see primal_dual.pdf for more information

Definition at line 352 of file SUP.cpp.

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void SUP::invert

(

)

Definition at line 214 of file SUP.cpp.

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void SUP::L_map	(	const SUP &	A,
		const SUP &	B
	)

Definition at line 257 of file SUP.cpp.

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SUP & SUP::operator*=

(

double

alpha

)

Definition at line 133 of file SUP.cpp.

SUP & SUP::operator+=

(

const SUP &

orig

)

Definition at line 105 of file SUP.cpp.

SUP & SUP::operator-=

(

const SUP &

orig

)

Definition at line 119 of file SUP.cpp.

SUP & SUP::operator/=

(

double

alpha

)

Definition at line 147 of file SUP.cpp.

SUP & SUP::operator=

(

const SUP &

orig

)

Definition at line 68 of file SUP.cpp.

SUP & SUP::operator=

(

SUP &&

orig

)

Definition at line 82 of file SUP.cpp.

SUP & SUP::operator=

(

double

a

)

Definition at line 91 of file SUP.cpp.

void SUP::ReadFromFile

(

std::string

filename

)

Read a SUP object from a HDF5 file. The SUP needs to be already created with the correct dimensions. Will fill in the object on which it is called.

Parameters

filename

the file to read

Definition at line 412 of file SUP.cpp.

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void SUP::sep_pm	(	SUP &	pos,
		SUP &	neg
	)

Definition at line 336 of file SUP.cpp.

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void SUP::sqrt

(

int

option

)

Definition at line 244 of file SUP.cpp.

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void SUP::WriteToFile

(

std::string

filename

)

const

Write a SUP object to a HDF5 file

Parameters

filename

the name of the file to write to

Definition at line 366 of file SUP.cpp.

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Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  output, doci2DM::SUP &  sup  )

friend

Definition at line 287 of file SUP.cpp.

Member Data Documentation

std::unique_ptr<PHM> doci2DM::SUP::G

private

the G matrix

Definition at line 118 of file SUP.h.

std::unique_ptr<TPM> doci2DM::SUP::I

private

the RDM matrix

Definition at line 112 of file SUP.h.

int doci2DM::SUP::L

private

the size of the sp DOCI space (there are 2*L sp states)

Definition at line 109 of file SUP.h.

int doci2DM::SUP::N

private

number of particles

Definition at line 106 of file SUP.h.

std::unique_ptr<TPM> doci2DM::SUP::Q

private

the Q matrix

Definition at line 115 of file SUP.h.

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

• include/SUP.h
• SUP.cpp