Inheritance diagram for psi_initializer_atomic_random< T >:

Collaboration diagram for psi_initializer_atomic_random< T >:

Public Member Functions
	psi_initializer_atomic_random ()

	~psi_initializer_atomic_random ()

virtual void	initialize (const Structure_Factor , const ModulePW::PW_Basis_K , const UnitCell , const K_Vectors , const int &=1, const pseudopot_cell_vnl *=nullptr, const int &=0) override
	initialize the psi_initializer with external data and methods

virtual void	init_psig (T *psig, const int &ik) override
	CENTRAL FUNCTION: init psi in pw basis.

Public Member Functions inherited from psi_initializer_atomic< T >
	psi_initializer_atomic ()

	~psi_initializer_atomic ()

virtual void	tabulate () override
	CENTRAL FUNCTION: calculate the interpolate table if needed.

Public Member Functions inherited from psi_initializer< T >
	psi_initializer ()

virtual	~psi_initializer ()

std::string	method () const

int	nbands_start () const

int	nbands_complem () const

template<typename U >
std::enable_if< std::is_same< U, float >::value, U >::type	cast_to_T (const std::complex< double > in)

template<typename U >
std::enable_if< std::is_same< U, double >::value, U >::type	cast_to_T (const std::complex< double > in)

template<typename U >
std::enable_if< std::is_same< U, std::complex< float > >::value, U >::type	cast_to_T (const std::complex< double > in)

template<typename U >
std::enable_if< std::is_same< U, std::complex< double > >::value, U >::type	cast_to_T (const std::complex< double > in)

Private Types
using	Real = typename GetTypeReal< T >::type

Additional Inherited Members
Protected Member Functions inherited from psi_initializer_atomic< T >
void	allocate_ps_table ()

Protected Member Functions inherited from psi_initializer< T >
void	stick_to_pool (Real stick, const int &ir, Real out) const
	mapping from (ix, iy) to is

void	random_t (T *psi, const int iw_start, const int iw_end, const int ik, const int mode=1)
	mode, 0 for rrexp(iarg), 1 for rr/(1+gk2)exp(iarg)

Protected Attributes inherited from psi_initializer_atomic< T >
std::vector< std::string >	pseudopot_files_

ModuleBase::realArray	ovlp_pswfcjlq_

Protected Attributes inherited from psi_initializer< T >
const Structure_Factor *	sf_ = nullptr
	Structure_Factor.

const ModulePW::PW_Basis_K *	pw_wfc_ = nullptr
	use \|k+G>, \|G>, getgpluskcar and so on in PW_Basis_K

const UnitCell *	p_ucell_ = nullptr
	UnitCell.

const K_Vectors *	p_kv = nullptr
	Parallel_Kpoints.

const pseudopot_cell_vnl *	p_pspot_nl_ = nullptr
	pseudopot_cell_vnl

int	random_seed_ = 1
	random seed, shared by random, atomic+random, nao+random

std::vector< int >	ixy2is_
	used by stick_to_pool function

int	mem_saver_ = 0
	if save memory, only for nscf

std::string	method_ = "none"
	method name

int	nbands_complem_ = 0
	complement number of bands, which is nbands_start_ - ucell.natomwfc

double	mixing_coef_ = 0
	mixing coefficient for atomic+random and nao+random

int	nbands_start_ = 0
	starting nbands, which is no less than PARAM.inp.nbands

Member Typedef Documentation

◆ Real

template<typename T >

private

template<typename T >

psi_initializer_atomic_random< T >::psi_initializer_atomic_random ( )

inline

template<typename T >

psi_initializer_atomic_random< T >::~psi_initializer_atomic_random ( )

inline

template<typename T >

void psi_initializer_atomic_random< T >::init_psig	(	T *	psig,
		const int &	ik
	)

overridevirtual

CENTRAL FUNCTION: init psi in pw basis.

Here is the call graph for this function:

template<typename T >

void psi_initializer_atomic_random< T >::initialize	(	const Structure_Factor *	sf,
		const ModulePW::PW_Basis_K *	pw_wfc,
		const UnitCell *	p_ucell,
		const K_Vectors *	p_kv_in,
		const int &	random_seed = `1`,
		const pseudopot_cell_vnl *	p_pspot_nl = `nullptr`,
		const int &	rank = `0`
	)

overridevirtual

initialize the psi_initializer with external data and methods

Here is the call graph for this function:

Here is the caller graph for this function:

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

/home/runner/work/abacus-develop/abacus-develop/source/source_psi/psi_initializer_atomic_random.h
/home/runner/work/abacus-develop/abacus-develop/source/source_psi/psi_initializer_atomic_random.cpp