HamiltTEST< T > Class Template Reference

Inheritance diagram for HamiltTEST< T >:

Collaboration diagram for HamiltTEST< T >:

Public Member Functions
void	matrix (hamilt::MatrixBlock< T > &hk_in, hamilt::MatrixBlock< T > &sk_in)
void	constructHamilt (const int iter, const hamilt::MatrixBlock< double > rho)
void	updateHk (const int ik)
	for target K point, update consequence of hPsi() and matrix()
void	matrix (hamilt::MatrixBlock< T > &hk_in, hamilt::MatrixBlock< T > &sk_in)
void	constructHamilt (const int iter, const hamilt::MatrixBlock< double > rho)
void	updateHk (const int ik)
	for target K point, update consequence of hPsi() and matrix()
void	matrix (hamilt::MatrixBlock< T > &hk_in, hamilt::MatrixBlock< T > &sk_in)
void	constructHamilt (const int iter, const hamilt::MatrixBlock< double > rho)
void	updateHk (const int ik)
	for target K point, update consequence of hPsi() and matrix()
Public Member Functions inherited from hamilt::Hamilt< T, Device >
virtual	~Hamilt ()
virtual void	refresh (void)
	refresh status of Hamiltonian, for example, refresh H(R) and S(R) in LCAO case
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 Attributes
int	desc [9]
int	nrow
int	ncol
std::vector< T >	h_local
std::vector< T >	s_local
Public Attributes inherited from hamilt::Hamilt< T, Device >
std::string	classname = "none"
int	non_first_scf =0
Operator< T, Device > *	ops = nullptr
	first node operator, add operations from each operators

Additional Inherited Members
Protected Types inherited from hamilt::Hamilt< T, Device >
using	syncmem_op = base_device::memory::synchronize_memory_op< T, Device, Device >
Protected Attributes inherited from hamilt::Hamilt< T, Device >
Device *	ctx = {}

Detailed Description

template<typename T>
class HamiltTEST< T >

Tested function:

• hsolver::DiagoElpa::diag (for ELPA)
• hsolver::DiagoScalapack::diag (for Scalapack)

The 2d block cyclic distribution of H/S matrix is done by self-realized functions in source_hsolver/test/diago_elpa_utils.h

Member Function Documentation

constructHamilt() [1/3]

template<typename T >

void HamiltTEST< T >::constructHamilt ( const int  iter, const hamilt::MatrixBlock< double >  rho  )

inline

constructHamilt() [2/3]

template<typename T >

void HamiltTEST< T >::constructHamilt ( const int  iter, const hamilt::MatrixBlock< double >  rho  )

inline

constructHamilt() [3/3]

template<typename T >

void HamiltTEST< T >::constructHamilt ( const int  iter, const hamilt::MatrixBlock< double >  rho  )

inline

matrix() [1/3]

template<typename T >

void HamiltTEST< T >::matrix ( hamilt::MatrixBlock< T > &  hk_in, hamilt::MatrixBlock< T > &  sk_in  )

inline

matrix() [2/3]

template<typename T >

void HamiltTEST< T >::matrix ( hamilt::MatrixBlock< T > &  hk_in, hamilt::MatrixBlock< T > &  sk_in  )

inline

matrix() [3/3]

template<typename T >

void HamiltTEST< T >::matrix ( hamilt::MatrixBlock< T > &  hk_in, hamilt::MatrixBlock< T > &  sk_in  )

inline

updateHk() [1/3]

template<typename T >

void HamiltTEST< T >::updateHk ( const int  ik )

inlinevirtual

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

Reimplemented from hamilt::Hamilt< T, Device >.

updateHk() [2/3]

template<typename T >

void HamiltTEST< T >::updateHk ( const int  ik )

inlinevirtual

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

Reimplemented from hamilt::Hamilt< T, Device >.

updateHk() [3/3]

template<typename T >

void HamiltTEST< T >::updateHk ( const int  ik )

inlinevirtual

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

Reimplemented from hamilt::Hamilt< T, Device >.

Member Data Documentation

desc

template<typename T >

int HamiltTEST< T >::desc

h_local

template<typename T >

std::vector< T > HamiltTEST< T >::h_local

ncol

template<typename T >

int HamiltTEST< T >::ncol

nrow

template<typename T >

int HamiltTEST< T >::nrow

s_local

template<typename T >

std::vector< T > HamiltTEST< T >::s_local

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_hsolver/test/diago_lapack_test.cpp
• /home/runner/work/abacus-develop/abacus-develop/source/source_hsolver/test/diago_lcao_cusolver_test.cpp
• /home/runner/work/abacus-develop/abacus-develop/source/source_hsolver/test/diago_lcao_test.cpp