HPsi< T > Class Template Reference

#include <diago_mock.h>

Collaboration diagram for HPsi< T >:

Public Member Functions
	HPsi (int nband, int npw, int sparsity=7)
	HPsi ()
	~HPsi ()
void	create (int nbd, int npw, int sparsity=7)
Real *	precond ()
std::vector< T >	hamilt ()
psi::Psi< T >	psi ()
void	genhmatrix ()
void	genpsi ()
void	genprecondition ()
void	genhmatrix ()
void	genhmatrix ()
void	genhmatrix ()
void	genpsi ()
void	genpsi ()
void	genpsi ()

Private Types
using	Real = typename GetTypeReal< T >::type

Private Attributes
int	npw
int	nband
std::vector< T >	hmatrix
std::vector< T >	psimatrix
Real *	precondition
int	min = 0
int	max = 9999
int	sparsity

Member Typedef Documentation

Real

template<typename T >

using HPsi< T >::Real = typename GetTypeReal<T>::type

private

This calss used to produce the Hermite matrix, the initial guess wave function, and the precondition by the random number. The elements of Hermite matrix and wave function are between -1.0 to 1.0, and the preconddition is between 1.0 to 2.0.

The parameters in construct function or function create() are same:

• int nband/nbd: number of calculated bands
• int npw: number of plane wave
• int sparsity: the sparsity of Halmit matrix, between 0 and 10. (0 means no sparsity, 10 means a diagonal matrix)

After instantiation a HPsi, one can use below functions:

• hamilt(): return the Hermite matrix (type: std::vector<T>)
• precond(): return the precondition (type: Real Pointer)

Constructor & Destructor Documentation

HPsi() [1/2]

template<typename T >

HPsi< T >::HPsi ( int  nband, int  npw, int  sparsity = 7  )

inline

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HPsi() [2/2]

template<typename T >

HPsi< T >::HPsi ( )

inline

~HPsi()

template<typename T >

HPsi< T >::~HPsi ( )

inline

Member Function Documentation

create()

template<typename T >

void HPsi< T >::create ( int  nbd, int  npw, int  sparsity = 7  )

inline

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genhmatrix() [1/4]

template<typename T >

void HPsi< T >::genhmatrix

(

)

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genhmatrix() [2/4]

void HPsi< double >::genhmatrix

(

)

genhmatrix() [3/4]

void HPsi< std::complex< double > >::genhmatrix

(

)

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genhmatrix() [4/4]

void HPsi< std::complex< float > >::genhmatrix

(

)

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genprecondition()

template<typename T >

void HPsi< T >::genprecondition ( )

inline

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genpsi() [1/4]

template<typename T >

void HPsi< T >::genpsi

(

)

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genpsi() [2/4]

void HPsi< double >::genpsi

(

)

genpsi() [3/4]

void HPsi< std::complex< double > >::genpsi

(

)

genpsi() [4/4]

void HPsi< std::complex< float > >::genpsi

(

)

hamilt()

template<typename T >

std::vector< T > HPsi< T >::hamilt ( )

inline

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precond()

template<typename T >

Real * HPsi< T >::precond ( )

inline

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psi()

template<typename T >

psi::Psi< T > HPsi< T >::psi ( )

inline

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Member Data Documentation

hmatrix

template<typename T >

std::vector<T> HPsi< T >::hmatrix

private

max

template<typename T >

int HPsi< T >::max = 9999

private

min

template<typename T >

int HPsi< T >::min = 0

private

nband

template<typename T >

int HPsi< T >::nband

private

npw

template<typename T >

int HPsi< T >::npw

private

precondition

template<typename T >

Real* HPsi< T >::precondition

private

psimatrix

template<typename T >

std::vector<T> HPsi< T >::psimatrix

private

sparsity

template<typename T >

int HPsi< T >::sparsity

private

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_hsolver/test/diago_mock.h