Exx_Helper< T, Device > Struct Template Reference

#include <exx_helper.h>

Collaboration diagram for Exx_Helper< T, Device >:

Public Types
using	Real = typename GetTypeReal< T >::type
using	OperatorEXX = hamilt::OperatorEXXPW< T, Device >

Public Member Functions
	Exx_Helper ()=default
void	set_firstiter (bool flag=true)
void	set_wg (const ModuleBase::matrix *wg_)
void	set_psi (psi::Psi< T, Device > *psi_)
void	set_op ()
bool	exx_after_converge (int &iter)
double	cal_exx_energy (psi::Psi< T, Device > *psi_)

Public Attributes
OperatorEXX *	op_exx = nullptr

Private Attributes
bool	first_iter = false
psi::Psi< T, Device > *	psi = nullptr
const ModuleBase::matrix *	wg = nullptr

Member Typedef Documentation

OperatorEXX

template<typename T , typename Device >

using Exx_Helper< T, Device >::OperatorEXX = hamilt::OperatorEXXPW<T, Device>

Real

template<typename T , typename Device >

using Exx_Helper< T, Device >::Real = typename GetTypeReal<T>::type

Constructor & Destructor Documentation

Exx_Helper()

template<typename T , typename Device >

Exx_Helper< T, Device >::Exx_Helper ( )

default

Member Function Documentation

cal_exx_energy()

template<typename T , typename Device >

double Exx_Helper< T, Device >::cal_exx_energy

(

psi::Psi< T, Device > *

psi_

)

exx_after_converge()

template<typename T , typename Device >

bool Exx_Helper< T, Device >::exx_after_converge

(

int &

iter

)

set_firstiter()

template<typename T , typename Device >

void Exx_Helper< T, Device >::set_firstiter ( bool  flag = true )

inline

set_op()

template<typename T , typename Device >

void Exx_Helper< T, Device >::set_op ( )

inline

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set_psi()

template<typename T , typename Device >

void Exx_Helper< T, Device >::set_psi

(

psi::Psi< T, Device > *

psi_

)

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set_wg()

template<typename T , typename Device >

void Exx_Helper< T, Device >::set_wg ( const ModuleBase::matrix *  wg_ )

inline

Member Data Documentation

first_iter

template<typename T , typename Device >

bool Exx_Helper< T, Device >::first_iter = false

private

op_exx

template<typename T , typename Device >

OperatorEXX* Exx_Helper< T, Device >::op_exx = nullptr

psi

template<typename T , typename Device >

psi::Psi<T, Device>* Exx_Helper< T, Device >::psi = nullptr

private

wg

template<typename T , typename Device >

const ModuleBase::matrix* Exx_Helper< T, Device >::wg = nullptr

private

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_pw/module_pwdft/module_exx_helper/exx_helper.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_pw/module_pwdft/module_exx_helper/exx_helper.cpp