ModuleGint::Gint_dvlocal Class Reference

#include <gint_dvlocal.h>

Inheritance diagram for ModuleGint::Gint_dvlocal:

Collaboration diagram for ModuleGint::Gint_dvlocal:

Public Member Functions
	Gint_dvlocal (const double *vr_eff, const int nspin, const int npol)
void	cal_dvlocal ()
void	cal_dvlocal_R_sparseMatrix (const int nspin, const int cspin, const int nlocal, const double sparse_thr, const Parallel_Orbitals &pv, const UnitCell &ucell, const Grid_Driver &gdriver, LCAO_HS_Arrays &hs_arrays)
Public Member Functions inherited from ModuleGint::Gint
	Gint ()=default
virtual	~Gint ()=default

Private Member Functions
void	init_hr_gint_ ()
void	cal_hr_gint_ ()
void	distribute_pvdpR_sparseMatrix (const int cspin, const int dim, const int nlocal, const double sparse_threshold, const std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > &pvdpR_sparseMatrix, const Parallel_Orbitals &pv, LCAO_HS_Arrays &HS_Arrays)

Private Attributes
const double *	vr_eff_
int	nspin_
int	npol_
double	dr3_
HContainer< double >	pvdpRx
HContainer< double >	pvdpRy
HContainer< double >	pvdpRz

Additional Inherited Members
Static Public Member Functions inherited from ModuleGint::Gint
static void	set_gint_info (GintInfo *gint_info)
Static Protected Attributes inherited from ModuleGint::Gint
static GintInfo *	gint_info_ = nullptr

Constructor & Destructor Documentation

Gint_dvlocal()

ModuleGint::Gint_dvlocal::Gint_dvlocal ( const double *  vr_eff, const int  nspin, const int  npol  )

inline

Member Function Documentation

cal_dvlocal()

void ModuleGint::Gint_dvlocal::cal_dvlocal

(

)

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cal_dvlocal_R_sparseMatrix()

void ModuleGint::Gint_dvlocal::cal_dvlocal_R_sparseMatrix	(	const int	nspin,
		const int	cspin,
		const int	nlocal,
		const double	sparse_thr,
		const Parallel_Orbitals &	pv,
		const UnitCell &	ucell,
		const Grid_Driver &	gdriver,
		LCAO_HS_Arrays &	hs_arrays
	)

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cal_hr_gint_()

void ModuleGint::Gint_dvlocal::cal_hr_gint_ ( )

private

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distribute_pvdpR_sparseMatrix()

void ModuleGint::Gint_dvlocal::distribute_pvdpR_sparseMatrix ( const int  cspin, const int  dim, const int  nlocal, const double  sparse_threshold, const std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > &  pvdpR_sparseMatrix, const Parallel_Orbitals &  pv, LCAO_HS_Arrays &  HS_Arrays  )

private

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init_hr_gint_()

void ModuleGint::Gint_dvlocal::init_hr_gint_ ( )

private

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Member Data Documentation

dr3_

double ModuleGint::Gint_dvlocal::dr3_

private

npol_

int ModuleGint::Gint_dvlocal::npol_

private

nspin_

int ModuleGint::Gint_dvlocal::nspin_

private

pvdpRx

HContainer<double> ModuleGint::Gint_dvlocal::pvdpRx

private

pvdpRy

HContainer<double> ModuleGint::Gint_dvlocal::pvdpRy

private

pvdpRz

HContainer<double> ModuleGint::Gint_dvlocal::pvdpRz

private

vr_eff_

const double* ModuleGint::Gint_dvlocal::vr_eff_

private

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_gint/temp_gint/gint_dvlocal.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_gint/temp_gint/gint_dvlocal.cpp