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Atomic-orbital Based Ab-initio Computation at UStc
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Classes | Static Public Member Functions | List of all members
Center2_Orb Class Reference

#include <center2_orb.h>

Collaboration diagram for Center2_Orb:

Classes

class  Orb11
 
class  Orb21
 
class  Orb22
 

Static Public Member Functions

static int get_rmesh (const double &R1, const double &R2, const double dr)
 
static void init_Table_Spherical_Bessel (const int Lmax_used, const double dr, const double dk, const int kmesh, const int Rmesh, ModuleBase::Sph_Bessel_Recursive::D2 *&psb)
 
static void cal_ST_Phi12_R (const int &job, const int &l, const Numerical_Orbital_Lm &n1, const Numerical_Orbital_Lm &n2, const int &rmesh, std::vector< double > &rs, std::vector< double > &drs, const ModuleBase::Sph_Bessel_Recursive::D2 *psb)
 
static void cal_ST_Phi12_R (const int &job, const int &l, const Numerical_Orbital_Lm &n1, const Numerical_Orbital_Lm &n2, const std::set< size_t > &radials, std::vector< double > &rs, std::vector< double > &drs, const ModuleBase::Sph_Bessel_Recursive::D2 *psb)
 

Member Function Documentation

◆ cal_ST_Phi12_R() [1/2]

void Center2_Orb::cal_ST_Phi12_R ( const int &  job,
const int &  l,
const Numerical_Orbital_Lm &  n1,
const Numerical_Orbital_Lm &  n2,
const int &  rmesh,
std::vector< double > &  rs,
std::vector< double > &  drs,
const ModuleBase::Sph_Bessel_Recursive::D2 *  psb 
)
static
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◆ cal_ST_Phi12_R() [2/2]

void Center2_Orb::cal_ST_Phi12_R ( const int &  job,
const int &  l,
const Numerical_Orbital_Lm &  n1,
const Numerical_Orbital_Lm &  n2,
const std::set< size_t > &  radials,
std::vector< double > &  rs,
std::vector< double > &  drs,
const ModuleBase::Sph_Bessel_Recursive::D2 *  psb 
)
static
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◆ get_rmesh()

int Center2_Orb::get_rmesh ( const double &  R1,
const double &  R2,
const double  dr 
)
static
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◆ init_Table_Spherical_Bessel()

void Center2_Orb::init_Table_Spherical_Bessel ( const int  Lmax_used,
const double  dr,
const double  dk,
const int  kmesh,
const int  Rmesh,
ModuleBase::Sph_Bessel_Recursive::D2 *&  psb 
)
static
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The documentation for this class was generated from the following files:
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