elecstate::H_Hartree_pw Class Reference

#include <H_Hartree_pw.h>

Collaboration diagram for elecstate::H_Hartree_pw:

Public Member Functions
	H_Hartree_pw ()
	~H_Hartree_pw ()

Static Public Member Functions
static ModuleBase::matrix	v_hartree (const UnitCell &cell, ModulePW::PW_Basis *rho_basis, const int &nspin, const double *const *const rho)
static int	get_Z (std::string str)
static void	cast_C2R (std::complex< double > *src, double *dst, int dim)
static void	lapl_rho (const std::complex< double > *rhog, double *lapn)
static void	shape_gradn (const std::complex< double > *PS_TOTN, ModulePW::PW_Basis *rho_basis, double *eprime)
static void	eps_pot (const std::complex< double > *PS_TOTN, const std::complex< double > *phi, const ModulePW::PW_Basis *rho_basis, double *d_eps, double *vwork)
static void	test_res (const UnitCell &ucell, ModulePW::PW_Basis *rho_basis, const std::complex< double > *tot_N, std::complex< double > *phi, double *d_eps)

Static Public Attributes
static double	hartree_energy = 0.0

Constructor & Destructor Documentation

H_Hartree_pw()

elecstate::H_Hartree_pw::H_Hartree_pw

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~H_Hartree_pw()

elecstate::H_Hartree_pw::~H_Hartree_pw

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Member Function Documentation

cast_C2R()

static void elecstate::H_Hartree_pw::cast_C2R ( std::complex< double > *  src, double *  dst, int  dim  )

static

eps_pot()

static void elecstate::H_Hartree_pw::eps_pot ( const std::complex< double > *  PS_TOTN, const std::complex< double > *  phi, const ModulePW::PW_Basis *  rho_basis, double *  d_eps, double *  vwork  )

static

get_Z()

static int elecstate::H_Hartree_pw::get_Z ( std::string  str )

static

lapl_rho()

static void elecstate::H_Hartree_pw::lapl_rho ( const std::complex< double > *  rhog, double *  lapn  )

static

shape_gradn()

static void elecstate::H_Hartree_pw::shape_gradn ( const std::complex< double > *  PS_TOTN, ModulePW::PW_Basis *  rho_basis, double *  eprime  )

static

test_res()

static void elecstate::H_Hartree_pw::test_res ( const UnitCell &  ucell, ModulePW::PW_Basis *  rho_basis, const std::complex< double > *  tot_N, std::complex< double > *  phi, double *  d_eps  )

static

v_hartree()

ModuleBase::matrix elecstate::H_Hartree_pw::v_hartree ( const UnitCell &  cell, ModulePW::PW_Basis *  rho_basis, const int &  nspin, const double *const *const  rho  )

static

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Member Data Documentation

hartree_energy

double elecstate::H_Hartree_pw::hartree_energy = 0.0

static

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_pot/H_Hartree_pw.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_pot/H_Hartree_pw.cpp