#include <onsite_proj.h>

Collaboration diagram for projectors::OnsiteProjector< T, Device >:

Public Member Functions
void	init_proj (const std::string &orbital_dir, const std::vector< std::string > &orb_files, const std::vector< int > &nproj, const std::vector< int > &lproj, const std::vector< int > &iproj, const std::vector< double > &onsite_r)
	initialize the radial projector for real-space projection involving operators

void	tabulate_atomic (const int ik, const char grad='n')
	calculate the onsite projectors in reciprocal space(\|G+K>) for all atoms

void	overlap_proj_psi (const int npm, const std::complex< double > *ppsi)

void	read_abacus_orb (std::ifstream &ifs, std::string &elem, double &ecut, int &nr, double &dr, std::vector< int > &nzeta, std::vector< std::vector< double > > &radials, const int rank=0)

void	init (const std::string &orbital_dir, const UnitCell *ucell_in, const psi::Psi< std::complex< T >, Device > &psi, const K_Vectors &kv, const ModulePW::PW_Basis_K &pw_basis, Structure_Factor &sf, const double onsite_radius, const int nq, const double dq, const ModuleBase::matrix &wg, const ModuleBase::matrix &ekb)

void	cal_occupations (const psi::Psi< std::complex< T >, Device > *psi, const ModuleBase::matrix &wg_in)
	calculate and print the occupations of all lm orbitals

int	get_size_becp () const

std::complex< double > *	get_becp () const

std::complex< double > *	get_h_becp () const

std::complex< double > *	get_tab_atomic () const

int	get_tot_nproj () const

int	get_npw () const

int	get_npwx () const

const int &	get_nh (int iat) const

hamilt::Onsite_Proj_tools< T, Device > *	get_fs_tools () const

Static Public Member Functions
static OnsiteProjector< T, Device > *	get_instance ()
	static access to this class instance

Private Types
using	gemm_op = ModuleBase::gemm_op< std::complex< T >, Device >
	rename the operators for CPU/GPU device

using	resmem_complex_op = base_device::memory::resize_memory_op< std::complex< T >, Device >

using	resmem_complex_h_op = base_device::memory::resize_memory_op< std::complex< T >, base_device::DEVICE_CPU >

using	setmem_complex_op = base_device::memory::set_memory_op< std::complex< T >, Device >

using	delmem_complex_op = base_device::memory::delete_memory_op< std::complex< T >, Device >

using	delmem_complex_h_op = base_device::memory::delete_memory_op< std::complex< T >, base_device::DEVICE_CPU >

using	syncmem_complex_h2d_op = base_device::memory::synchronize_memory_op< std::complex< T >, Device, base_device::DEVICE_CPU >

using	syncmem_complex_d2h_op = base_device::memory::synchronize_memory_op< std::complex< T >, base_device::DEVICE_CPU, Device >

using	resmem_var_op = base_device::memory::resize_memory_op< T, Device >

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

using	setmem_var_op = base_device::memory::set_memory_op< T, Device >

using	delmem_var_op = base_device::memory::delete_memory_op< T, Device >

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

using	syncmem_var_h2d_op = base_device::memory::synchronize_memory_op< T, Device, base_device::DEVICE_CPU >

using	syncmem_var_d2h_op = base_device::memory::synchronize_memory_op< T, base_device::DEVICE_CPU, Device >

using	resmem_int_op = base_device::memory::resize_memory_op< int, Device >

using	delmem_int_op = base_device::memory::delete_memory_op< int, Device >

using	syncmem_int_h2d_op = base_device::memory::synchronize_memory_op< int, Device, base_device::DEVICE_CPU >

Private Member Functions
	OnsiteProjector ()

	~OnsiteProjector ()

Private Attributes
Device *	ctx = {}

base_device::DEVICE_CPU *	cpu_ctx = {}

base_device::AbacusDevice_t	device = {}

hamilt::Onsite_Proj_tools< T, Device > *	fs_tools = nullptr

std::complex< double > *	tab_atomic_ = nullptr

std::complex< double > *	becp = nullptr

std::complex< double > *	h_becp

int	size_becp = 0

int	size_vproj = 0

int	tot_nproj = 0

int	npw_ = 0

int	npwx_ = 0

int	ik_ = 0

std::vector< std::vector< int > >	it2ia

std::vector< double >	rgrid

std::vector< std::vector< double > >	projs

std::vector< std::vector< int > >	it2iproj

std::vector< int >	lproj

std::vector< int >	iat_nh

const UnitCell *	ucell = nullptr

const ModulePW::PW_Basis_K *	pw_basis_ = nullptr

Structure_Factor *	sf_ = nullptr

int	ntype = 0

RadialProjection::RadialProjector	rp_

std::vector< int >	irow2it_

std::vector< int >	irow2iproj_

std::vector< int >	irow2m_

std::map< std::tuple< int, int, int, int >, int >	itiaiprojm2irow_

ModuleBase::realArray	tab

ModuleBase::matrix	nhtol

bool	initialed = false

Static Private Attributes
static OnsiteProjector< T, Device > *	instance