Exx_HelperBase Class Reference

#include <exx_helper_base.h>

Inheritance diagram for Exx_HelperBase:

Collaboration diagram for Exx_HelperBase:

Public Member Functions
	Exx_HelperBase ()=default
virtual	~Exx_HelperBase ()=default
virtual void	init (const UnitCell &ucell, const Input_para &inp, const ModuleBase::matrix &wg)=0
virtual void	before_scf (void *p_hamilt, void *psi, const Input_para &inp)=0
virtual bool	iter_finish (void *p_elec, Charge *p_charge, void *psi, UnitCell &ucell, const Input_para &inp, bool &conv_esolver, int &iter)=0
virtual void	set_firstiter (bool flag=true)=0
virtual void	set_wg (const ModuleBase::matrix *wg)=0
virtual void	set_psi (void *psi)=0
virtual void	iter_inc ()=0
virtual void	set_op ()=0
virtual bool	exx_after_converge (int &iter, bool ene_conv)=0
virtual double	cal_exx_energy (void *psi)=0
virtual bool	get_op_first_iter () const =0
virtual void	set_op_first_iter (bool flag)=0
virtual void	set_op_exx (void *op)=0

Constructor & Destructor Documentation

Exx_HelperBase()

Exx_HelperBase::Exx_HelperBase ( )

default

~Exx_HelperBase()

virtual Exx_HelperBase::~Exx_HelperBase ( )

virtualdefault

Member Function Documentation

before_scf()

virtual void Exx_HelperBase::before_scf ( void *  p_hamilt, void *  psi, const Input_para &  inp  )

pure virtual

Implemented in Exx_Helper< T, Device >.

cal_exx_energy()

virtual double Exx_HelperBase::cal_exx_energy ( void *  psi )

pure virtual

Implemented in Exx_Helper< T, Device >.

exx_after_converge()

virtual bool Exx_HelperBase::exx_after_converge ( int &  iter, bool  ene_conv  )

pure virtual

Implemented in Exx_Helper< T, Device >.

get_op_first_iter()

virtual bool Exx_HelperBase::get_op_first_iter ( ) const

pure virtual

Implemented in Exx_Helper< T, Device >.

init()

virtual void Exx_HelperBase::init ( const UnitCell &  ucell, const Input_para &  inp, const ModuleBase::matrix &  wg  )

pure virtual

Implemented in Exx_Helper< T, Device >.

iter_finish()

virtual bool Exx_HelperBase::iter_finish ( void *  p_elec, Charge *  p_charge, void *  psi, UnitCell &  ucell, const Input_para &  inp, bool &  conv_esolver, int &  iter  )

pure virtual

Implemented in Exx_Helper< T, Device >.

iter_inc()

virtual void Exx_HelperBase::iter_inc ( )

pure virtual

Implemented in Exx_Helper< T, Device >.

set_firstiter()

virtual void Exx_HelperBase::set_firstiter ( bool  flag = true )

pure virtual

Implemented in Exx_Helper< T, Device >.

set_op()

virtual void Exx_HelperBase::set_op ( )

pure virtual

Implemented in Exx_Helper< T, Device >.

set_op_exx()

virtual void Exx_HelperBase::set_op_exx ( void *  op )

pure virtual

Implemented in Exx_Helper< T, Device >.

set_op_first_iter()

virtual void Exx_HelperBase::set_op_first_iter ( bool  flag )

pure virtual

Implemented in Exx_Helper< T, Device >.

set_psi()

virtual void Exx_HelperBase::set_psi ( void *  psi )

pure virtual

Implemented in Exx_Helper< T, Device >.

set_wg()

virtual void Exx_HelperBase::set_wg ( const ModuleBase::matrix *  wg )

pure virtual

Implemented in Exx_Helper< T, Device >.

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_pw/module_pwdft/exx_helper_base.h