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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Private Member Functions | List of all members
Symmetry_rho Class Reference

#include <symmetry_rho.h>

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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
 

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
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◆ 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
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◆ get_ixyz2ipw()

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

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

void Symmetry_rho::psymmg ( std::complex< double > *  rhog_part,
const ModulePW::PW_Basis rho_basis,
ModuleSymmetry::Symmetry symm 
) const
private
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◆ 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
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◆ 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
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The documentation for this class was generated from the following files: