#include <operator_ri_hartree.h>

Inheritance diagram for RI_Benchmark::OperatorRIHartree< T >:

Collaboration diagram for RI_Benchmark::OperatorRIHartree< T >:

Public Member Functions
	OperatorRIHartree (const UnitCell &ucell, const int &naos, const int &nocc, const int &nvirt, const psi::Psi< T > &psi_ks_in, const TLRI< TR > &Cs_ao, const TLRI< TR > &Vs, const bool &read_from_aims=false, const std::vector< int > &aims_nbasis={})

	~OperatorRIHartree ()

void	act (const int nbands, const int nbasis, const int npol, const T psi_in, T hpsi, const int ngk_ik=0, const bool is_first_node=false) const override

Public Member Functions inherited from hamilt::Operator< T, Device >
	Operator ()

virtual	~Operator ()

virtual hpsi_info	hPsi (hpsi_info &input) const

virtual void	init (const int ik_in)

virtual void	add (Operator *next)

virtual int	get_ik () const

virtual void	act (const psi::Psi< T, Device > &psi_in, psi::Psi< T, Device > &psi_out, const int nbands) const

int	get_act_type () const

calculation_type	get_cal_type () const

Protected Attributes
const int &	naos

const int &	nocc

const int &	nvirt

const int	npairs

const TLRI< TR >	Cs_ao

const TLRI< TR >	Vs

const psi::Psi< T > &	psi_ks

const TLRI< T >	Cs_ov_mo

const TLRI< T >	Cs_vo_mo

const TLRI< T >	CV_ov

const TLRI< T >	CV_vo

Protected Attributes inherited from hamilt::Operator< T, Device >
int	ik = 0

int	act_type = 1
	determine which act() interface would be called in hPsi()

bool	in_place = false

enum calculation_type	cal_type

Operator *	next_sub_op = nullptr

bool	is_first_node = true

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

Device *	ctx = {}

Private Types
using	TR = T

Additional Inherited Members
Public Types inherited from hamilt::Operator< T, Device >
typedef std::tuple< const psi::Psi< T, Device > , const psi::Range, T >	hpsi_info

Public Attributes inherited from hamilt::Operator< T, Device >
Operator *	next_op = nullptr
	interface type 3: return a Psi-type HPsi

Protected Types inherited from hamilt::Operator< T, Device >
using	set_memory_op = base_device::memory::set_memory_op< T, Device >

Protected Member Functions inherited from hamilt::Operator< T, Device >
T *	get_hpsi (const hpsi_info &info) const

Member Typedef Documentation

◆ TR

template<typename T >

using RI_Benchmark::OperatorRIHartree< T >::TR = T

private

Constructor & Destructor Documentation

◆ OperatorRIHartree()

template<typename T >

RI_Benchmark::OperatorRIHartree< T >::OperatorRIHartree	(	const UnitCell &	ucell,
		const int &	naos,
		const int &	nocc,
		const int &	nvirt,
		const psi::Psi< T > &	psi_ks_in,
		const TLRI< TR > &	Cs_ao,
		const TLRI< TR > &	Vs,
		const bool &	read_from_aims = `false`,
		const std::vector< int > &	aims_nbasis = `{}`
	)

inline

◆ ~OperatorRIHartree()

template<typename T >

RI_Benchmark::OperatorRIHartree< T >::~OperatorRIHartree ( )

inline

Member Function Documentation

◆ act()

template<typename T >

void RI_Benchmark::OperatorRIHartree< T >::act	(	const int	nbands,
		const int	nbasis,
		const int	npol,
		const T *	tmpsi_in,
		T *	tmhpsi,
		const int	ngk_ik = `0`,
		const bool	is_first_node = `false`
	)		const

inlineoverridevirtual

do operation : |hpsi_choosed> = V|psi_choosed> V is the target operator act on choosed psi, the consequence should be added to choosed hpsi interface type 1: pointer-only (default)