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

#include <hamilt.h>

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

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

Public Member Functions
virtual	~Hamilt ()
void	updateHk (const int ik) override
	for target K point, update consequence of hPsi() and matrix()
void	refresh (bool yes=true) override
	refresh status of Hamiltonian, for example, refresh H(R) and S(R) in LCAO case
std::string	get_classname () const override
	get the class name
void *	get_ops () override
	get the operator chain
virtual void	hPsi (const T *psi_in, T *hpsi, const size_t size) const
	core function: for solving eigenvalues of Hamiltonian with iterative method
virtual void	sPsi (const T *psi_in, T *spsi, const int nrow, const int npw, const int nbands) const
virtual void	matrix (MatrixBlock< std::complex< double > > &hk_in, MatrixBlock< std::complex< double > > &sk_in)
	core function: return H(k) and S(k) matrixs for direct solving eigenvalues.
virtual void	matrix (MatrixBlock< double > &hk_in, MatrixBlock< double > &sk_in)
virtual std::vector< T >	matrix ()
Public Member Functions inherited from hamilt::HamiltBase
virtual	~HamiltBase ()

Public Attributes
std::string	classname = "none"
Operator< T, Device > *	ops = nullptr
	first node operator, add operations from each operators

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

Protected Attributes
Device *	ctx = {}

Member Typedef Documentation

syncmem_op

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

using hamilt::Hamilt< T, Device >::syncmem_op = base_device::memory::synchronize_memory_op<T, Device, Device>

protected

Constructor & Destructor Documentation

~Hamilt()

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

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

inlinevirtual

Member Function Documentation

get_classname()

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

std::string hamilt::Hamilt< T, Device >::get_classname ( ) const

inlineoverridevirtual

get the class name

Reimplemented from hamilt::HamiltBase.

get_ops()

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

void * hamilt::Hamilt< T, Device >::get_ops ( )

inlineoverridevirtual

get the operator chain

Reimplemented from hamilt::HamiltBase.

hPsi()

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

virtual void hamilt::Hamilt< T, Device >::hPsi ( const T *  psi_in, T *  hpsi, const size_t  size  ) const

inlinevirtual

core function: for solving eigenvalues of Hamiltonian with iterative method

matrix() [1/3]

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

virtual std::vector< T > hamilt::Hamilt< T, Device >::matrix ( )

inlinevirtual

matrix() [2/3]

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

virtual void hamilt::Hamilt< T, Device >::matrix ( MatrixBlock< double > &  hk_in, MatrixBlock< double > &  sk_in  )

inlinevirtual

matrix() [3/3]

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

virtual void hamilt::Hamilt< T, Device >::matrix ( MatrixBlock< std::complex< double > > &  hk_in, MatrixBlock< std::complex< double > > &  sk_in  )

inlinevirtual

core function: return H(k) and S(k) matrixs for direct solving eigenvalues.

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refresh()

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

void hamilt::Hamilt< T, Device >::refresh ( bool  yes = true )

inlineoverridevirtual

refresh status of Hamiltonian, for example, refresh H(R) and S(R) in LCAO case

Reimplemented from hamilt::HamiltBase.

Reimplemented in hamilt::HamiltLCAO< TK, TR >.

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sPsi()

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

virtual void hamilt::Hamilt< T, Device >::sPsi ( const T *  psi_in, T *  spsi, const int  nrow, const int  npw, const int  nbands  ) const

inlinevirtual

Reimplemented in hamilt::HamiltPW< std::complex< double >, base_device::DEVICE_CPU >, hamilt::HamiltPW< std::complex< FPTYPE >, Device >, hamilt::HamiltPW< std::complex< lowTYPE >, Device >, hamilt::HamiltPW< T, Device >, and hamilt::HamiltPW< T, base_device::DEVICE_CPU >.

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updateHk()

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

void hamilt::Hamilt< T, Device >::updateHk ( const int  ik )

inlineoverridevirtual

for target K point, update consequence of hPsi() and matrix()

Reimplemented from hamilt::HamiltBase.

Reimplemented in HamiltTEST< T >, HamiltTEST< T >, HamiltTEST< T >, hamilt::HamiltPW< T, Device >, hamilt::HamiltPW< std::complex< double >, base_device::DEVICE_CPU >, hamilt::HamiltPW< std::complex< FPTYPE >, Device >, hamilt::HamiltPW< std::complex< lowTYPE >, Device >, hamilt::HamiltPW< T, base_device::DEVICE_CPU >, hamilt::HamiltPW< T, Device >, hamilt::HamiltPW< std::complex< double >, base_device::DEVICE_CPU >, hamilt::HamiltPW< std::complex< FPTYPE >, Device >, hamilt::HamiltPW< std::complex< lowTYPE >, Device >, hamilt::HamiltPW< T, base_device::DEVICE_CPU >, hamilt::HamiltPW< T, Device >, hamilt::HamiltPW< std::complex< double >, base_device::DEVICE_CPU >, hamilt::HamiltPW< std::complex< FPTYPE >, Device >, hamilt::HamiltPW< std::complex< lowTYPE >, Device >, hamilt::HamiltPW< T, base_device::DEVICE_CPU >, hamilt::HamiltLCAO< TK, TR >, hamilt::HamiltPW< T, Device >, hamilt::HamiltPW< std::complex< double >, base_device::DEVICE_CPU >, hamilt::HamiltPW< std::complex< FPTYPE >, Device >, hamilt::HamiltPW< std::complex< lowTYPE >, Device >, and hamilt::HamiltPW< T, base_device::DEVICE_CPU >.

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Member Data Documentation

classname

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

std::string hamilt::Hamilt< T, Device >::classname = "none"

ctx

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

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

protected

ops

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

Operator<T, Device>* hamilt::Hamilt< T, Device >::ops = nullptr

first node operator, add operations from each operators

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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/hamilt.h