hamilt::Operator< T, Device > Class Template Reference

#include <operator.h>

Inheritance diagram for hamilt::Operator< T, Device >:

Collaboration diagram for hamilt::Operator< T, Device >:

Public Types
typedef std::tuple< const psi::Psi< T, Device > *, const psi::Range, T * >	hpsi_info

Public Member Functions
	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 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
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

Public Attributes
Operator *	next_op = nullptr
	interface type 3: return a Psi-type HPsi

Protected Types
using	set_memory_op = base_device::memory::set_memory_op< T, Device >

Protected Member Functions
T *	get_hpsi (const hpsi_info &info) const

Protected Attributes
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 = {}

Member Typedef Documentation

hpsi_info

template<typename T , typename Device = base_device::DEVICE_CPU>

typedef std::tuple<const psi::Psi<T, Device>*, const psi::Range, T*> hamilt::Operator< T, Device >::hpsi_info

as default, different operators donate hPsi independently run this->act function for the first operator and run all act() for other nodes in chain table if this procedure is not suitable for your operator, just override this function. output of hpsi would be first member of the returned tuple

set_memory_op

template<typename T , typename Device = base_device::DEVICE_CPU>

using hamilt::Operator< T, Device >::set_memory_op = base_device::memory::set_memory_op<T, Device>

protected

Constructor & Destructor Documentation

Operator()

template<typename T , typename Device = base_device::DEVICE_CPU>

hamilt::Operator< T, Device >::Operator

(

)

~Operator()

template<typename T , typename Device = base_device::DEVICE_CPU>

virtual hamilt::Operator< T, Device >::~Operator ( )

virtual

Member Function Documentation

act() [1/2]

template<typename T , typename Device = base_device::DEVICE_CPU>

virtual void hamilt::Operator< T, Device >::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

inlinevirtual

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)

Note

PW: nbasis = max_npw * npol, nbands = nband * npol, npol = npol. Strange but PAY ATTENTION!!!

Reimplemented in LR::OperatorLRDiag< T, Device >, LR::OperatorLRHxc< T, Device >, RI_Benchmark::OperatorRIHartree< T >, hamilt::OnsiteProj< OperatorPW< T, Device > >, OperatorMock< T >, hamilt::Ekinetic< OperatorPW< T, Device > >, hamilt::Meta< OperatorPW< T, Device > >, hamilt::Nonlocal< OperatorPW< T, Device > >, hamilt::OperatorEXXPW< T, Device >, hamilt::Veff< OperatorPW< T, Device > >, and TestOp< T, Device >.

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act() [2/2]

template<typename T , typename Device = base_device::DEVICE_CPU>

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

inlinevirtual

developer-friendly interfaces for act() function interface type 2: input and change the Psi-type HPsi

add()

template<typename T , typename Device = base_device::DEVICE_CPU>

virtual void hamilt::Operator< T, Device >::add ( Operator< T, Device > *  next )

virtual

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get_act_type()

template<typename T , typename Device = base_device::DEVICE_CPU>

int hamilt::Operator< T, Device >::get_act_type ( ) const

inline

type 1 (default): pointer-only act(const T* psi_in, T* psi_out) type 2: use the Psiclass act(const Psi& psi_in, Psi& psi_out)

get_cal_type()

template<typename T , typename Device = base_device::DEVICE_CPU>

calculation_type hamilt::Operator< T, Device >::get_cal_type ( ) const

inline

get_hpsi()

template<typename T , typename Device = base_device::DEVICE_CPU>

T * hamilt::Operator< T, Device >::get_hpsi ( const hpsi_info &  info ) const

protected

get_ik()

template<typename T , typename Device = base_device::DEVICE_CPU>

virtual int hamilt::Operator< T, Device >::get_ik ( ) const

inlinevirtual

hPsi()

template<typename T , typename Device = base_device::DEVICE_CPU>

virtual hpsi_info hamilt::Operator< T, Device >::hPsi ( hpsi_info &  input ) const

virtual

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init()

template<typename T , typename Device = base_device::DEVICE_CPU>

virtual void hamilt::Operator< T, Device >::init ( const int  ik_in )

virtual

Reimplemented in LR::OperatorLRDiag< T, Device >, LR::OperatorLRHxc< T, Device >, hamilt::OperatorLCAO< TK, TR >, hamilt::OperatorLCAO< std::complex< double >, TR >, hamilt::Nonlocal< OperatorPW< T, Device > >, and hamilt::OnsiteProj< OperatorPW< T, Device > >.

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Member Data Documentation

act_type

template<typename T , typename Device = base_device::DEVICE_CPU>

int hamilt::Operator< T, Device >::act_type = 1

protected

determine which act() interface would be called in hPsi()

cal_type

template<typename T , typename Device = base_device::DEVICE_CPU>

enum calculation_type hamilt::Operator< T, Device >::cal_type

protected

ctx

template<typename T , typename Device = base_device::DEVICE_CPU>

Device* hamilt::Operator< T, Device >::ctx = {}

protected

hpsi

template<typename T , typename Device = base_device::DEVICE_CPU>

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

mutableprotected

ik

template<typename T , typename Device = base_device::DEVICE_CPU>

int hamilt::Operator< T, Device >::ik = 0

protected

in_place

template<typename T , typename Device = base_device::DEVICE_CPU>

bool hamilt::Operator< T, Device >::in_place = false

mutableprotected

is_first_node

template<typename T , typename Device = base_device::DEVICE_CPU>

bool hamilt::Operator< T, Device >::is_first_node = true

protected

next_op

template<typename T , typename Device = base_device::DEVICE_CPU>

Operator* hamilt::Operator< T, Device >::next_op = nullptr

interface type 3: return a Psi-type HPsi

next_sub_op

template<typename T , typename Device = base_device::DEVICE_CPU>

Operator* hamilt::Operator< T, Device >::next_sub_op = nullptr

protected

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_hamilt/operator.h