#include <hamilt_lcaopw.h>

Inheritance diagram for hamilt::HamiltLIP< T >:

Collaboration diagram for hamilt::HamiltLIP< T >:

Public Member Functions
	HamiltLIP (elecstate::Potential pot_in, ModulePW::PW_Basis_K wfc_basis, K_Vectors p_kv, pseudopot_cell_vnl nlpp, const UnitCell *ucell)

Public Member Functions inherited from hamilt::HamiltPW< T, base_device::DEVICE_CPU >
	HamiltPW (elecstate::Potential pot_in, ModulePW::PW_Basis_K wfc_basis, K_Vectors p_kv, pseudopot_cell_vnl nlpp, const UnitCell *ucell)

	HamiltPW (const HamiltPW< T_in, Device_in > *hamilt)

	HamiltPW (elecstate::Potential pot_in, ModulePW::PW_Basis_K wfc_basis, K_Vectors pkv, pseudopot_cell_vnl , const UnitCell *)

	HamiltPW (elecstate::Potential pot_in, ModulePW::PW_Basis_K wfc_basis, K_Vectors pkv, pseudopot_cell_vnl , const UnitCell *)

	HamiltPW (elecstate::Potential pot_in, ModulePW::PW_Basis_K wfc_basis, K_Vectors pkv, pseudopot_cell_vnl , const UnitCell *)

	~HamiltPW ()

	~HamiltPW ()

	~HamiltPW ()

	~HamiltPW ()

void	updateHk (const int ik) override
	for target K point, update consequence of hPsi() and matrix()

void	updateHk (const int ik)
	for target K point, update consequence of hPsi() and matrix()

void	updateHk (const int ik)
	for target K point, update consequence of hPsi() and matrix()

void	updateHk (const int ik)
	for target K point, update consequence of hPsi() and matrix()

void	sPsi (const T psi_in, T spsi, const int nrow, const int npw, const int nbands) const override

void	sPsi (const double psi_in, double spsi, const int nrow, const int npw, const int nbands) const

void	sPsi (const std::complex< double > psi_in, std::complex< double > spsi, const int nrow, const int npw, const int nbands) const

void	sPsi (const std::complex< float > psi_in, std::complex< float > spsi, const int nrow, const int npw, const int nbands) const

void	set_exx_helper (Exx_Helper< T, base_device::DEVICE_CPU > &exx_helper_in)

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	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 ()

Additional Inherited Members
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

Protected Types inherited from hamilt::HamiltPW< T, base_device::DEVICE_CPU >
using	gemv_op = ModuleBase::gemv_op< T, base_device::DEVICE_CPU >

using	gemm_op = ModuleBase::gemm_op< T, base_device::DEVICE_CPU >

using	setmem_complex_op = base_device::memory::set_memory_op< T, base_device::DEVICE_CPU >

using	resmem_complex_op = base_device::memory::resize_memory_op< T, base_device::DEVICE_CPU >

using	delmem_complex_op = base_device::memory::delete_memory_op< T, base_device::DEVICE_CPU >

using	syncmem_op = base_device::memory::synchronize_memory_op< T, base_device::DEVICE_CPU, base_device::DEVICE_CPU >

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::HamiltPW< T, base_device::DEVICE_CPU >
const pseudopot_cell_vnl *	ppcell

const UnitCell *const	ucell

T *	vkb

Real *	qq_nt

T *	qq_so

base_device::DEVICE_CPU *	ctx

Protected Attributes inherited from hamilt::Hamilt< T, Device >
Device *	ctx = {}

Constructor & Destructor Documentation

◆ HamiltLIP()

template<typename T >

hamilt::HamiltLIP< T >::HamiltLIP	(	elecstate::Potential *	pot_in,
		ModulePW::PW_Basis_K *	wfc_basis,
		K_Vectors *	p_kv,
		pseudopot_cell_vnl *	nlpp,
		const UnitCell *	ucell
	)

inline

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

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

Public Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

◆ HamiltLIP()