Symmetry_rho Class Reference

#include <symmetry_rho.h>

Collaboration diagram for Symmetry_rho:

Public Member Functions
	Symmetry_rho ()
	~Symmetry_rho ()
void	begin (const int &spin_now, const Charge &CHR, const ModulePW::PW_Basis *pw, ModuleSymmetry::Symmetry &symm) const
void	begin (const int &spin_now, double **rho, std::complex< double > **rhog, int ngmc, double **kin_r, const ModulePW::PW_Basis *pw, ModuleSymmetry::Symmetry &symm) const

Static Public Member Functions
static void	symmetrize_rho (const int nspin, const Charge &chr, const ModulePW::PW_Basis *pw, ModuleSymmetry::Symmetry &symm)
	Symmetrize charge density for all spin channels.

Private Member Functions
void	psymm (double *rho_part, const ModulePW::PW_Basis *pw, Parallel_Grid &Pgrid, ModuleSymmetry::Symmetry &symm) const
void	psymmg (std::complex< double > *rhog_part, const ModulePW::PW_Basis *rho_basis, ModuleSymmetry::Symmetry &symm) const
void	reduce_to_fullrhog (const ModulePW::PW_Basis *rho_basis, std::complex< double > *rhogtot, std::complex< double > *rhogin, int *ig2isztot, const int *ig2iszin, int max_npw) const
void	rhog_piece_to_all (const ModulePW::PW_Basis *rho_basis, std::complex< double > *rhogtot, std::complex< double > *rhog_part) const
void	get_ixyz2ipw (const ModulePW::PW_Basis *rho_basis, const int *ig2isztot, const int *fftixy2is, int *ixyz2ipw) const

Constructor & Destructor Documentation

Symmetry_rho()

Symmetry_rho::Symmetry_rho

(

)

~Symmetry_rho()

Symmetry_rho::~Symmetry_rho

(

)

Member Function Documentation

begin() [1/2]

void Symmetry_rho::begin	(	const int &	spin_now,
		const Charge &	CHR,
		const ModulePW::PW_Basis *	pw,
		ModuleSymmetry::Symmetry &	symm
	)		const

Here is the call graph for this function:

Here is the caller graph for this function:

begin() [2/2]

void Symmetry_rho::begin	(	const int &	spin_now,
		double **	rho,
		std::complex< double > **	rhog,
		int	ngmc,
		double **	kin_r,
		const ModulePW::PW_Basis *	pw,
		ModuleSymmetry::Symmetry &	symm
	)		const

Here is the call graph for this function:

get_ixyz2ipw()

void Symmetry_rho::get_ixyz2ipw ( const ModulePW::PW_Basis *  rho_basis, const int *  ig2isztot, const int *  fftixy2is, int *  ixyz2ipw  ) const

private

Here is the caller graph for this function:

psymm()

void Symmetry_rho::psymm ( double *  rho_part, const ModulePW::PW_Basis *  pw, Parallel_Grid &  Pgrid, ModuleSymmetry::Symmetry &  symm  ) const

private

Here is the call graph for this function:

psymmg()

void Symmetry_rho::psymmg ( std::complex< double > *  rhog_part, const ModulePW::PW_Basis *  rho_basis, ModuleSymmetry::Symmetry &  symm  ) const

private

Here is the call graph for this function:

Here is the caller graph for this function:

reduce_to_fullrhog()

void Symmetry_rho::reduce_to_fullrhog ( const ModulePW::PW_Basis *  rho_basis, std::complex< double > *  rhogtot, std::complex< double > *  rhogin, int *  ig2isztot, const int *  ig2iszin, int  max_npw  ) const

private

Here is the call graph for this function:

Here is the caller graph for this function:

rhog_piece_to_all()

void Symmetry_rho::rhog_piece_to_all ( const ModulePW::PW_Basis *  rho_basis, std::complex< double > *  rhogtot, std::complex< double > *  rhog_part  ) const

private

Here is the call graph for this function:

Here is the caller graph for this function:

symmetrize_rho()

void Symmetry_rho::symmetrize_rho ( const int  nspin, const Charge &  chr, const ModulePW::PW_Basis *  pw, ModuleSymmetry::Symmetry &  symm  )

static

Symmetrize charge density for all spin channels.

This is a static helper function that symmetrizes the charge density for all spin channels by calling begin() for each spin.

Parameters

nspin	Number of spin channels
chr	Charge object containing the density
pw	Plane wave basis
symm	Symmetry object

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_estate/module_charge/symmetry_rho.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_charge/symmetry_rho.cpp
• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_charge/symmetry_rhog.cpp
• /home/runner/work/abacus-develop/abacus-develop/source/source_io/test/read_wf2rho_pw_test.cpp