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Atomic-orbital Based Ab-initio Computation at UStc
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Protected Member Functions | Protected Attributes | List of all members
Mixing_Test Class Reference
Inheritance diagram for Mixing_Test:
Collaboration diagram for Mixing_Test:

Protected Member Functions

 Mixing_Test ()
 
 ~Mixing_Test ()
 
void init_method (std::string method)
 
void clear ()
 
template<typename FPTYPE >
void solve_linear_eq (FPTYPE *x_in, FPTYPE *x_out, bool diff_beta=false)
 sover linear equation: [ 8 -3 2 ][x1] [20] [3] [ 4 11 -1 ][x2] = [33] x = [2] [ 6 3 12 ][x3] [36] [1]
 
template<typename FPTYPE >
void Kerker_mock (FPTYPE *drho)
 
double inner_product_mock (double *x1, double *x2)
 
double inner_product_mock (std::complex< double > *x1, std::complex< double > *x2)
 

Protected Attributes

const double mixing_beta = 0.6
 
const int mixing_ndim = 3
 
Base_Mixing::Mixing_Data xdata
 
Base_Mixing::Mixingmixing = nullptr
 
double thr = 1e-8
 
int niter = 0
 
int maxiter = 10
 
std::vector< double > xd_ref = {0.0, 0.0, 0.0}
 
std::vector< std::complex< double > > xc_ref
 

Constructor & Destructor Documentation

◆ Mixing_Test()

Mixing_Test::Mixing_Test ( )
inlineprotected

◆ ~Mixing_Test()

Mixing_Test::~Mixing_Test ( )
inlineprotected

Member Function Documentation

◆ clear()

void Mixing_Test::clear ( )
inlineprotected

◆ init_method()

void Mixing_Test::init_method ( std::string  method)
inlineprotected

◆ inner_product_mock() [1/2]

double Mixing_Test::inner_product_mock ( double *  x1,
double *  x2 
)
inlineprotected
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◆ inner_product_mock() [2/2]

double Mixing_Test::inner_product_mock ( std::complex< double > *  x1,
std::complex< double > *  x2 
)
inlineprotected

◆ Kerker_mock()

template<typename FPTYPE >
void Mixing_Test::Kerker_mock ( FPTYPE *  drho)
inlineprotected

◆ solve_linear_eq()

template<typename FPTYPE >
void Mixing_Test::solve_linear_eq ( FPTYPE *  x_in,
FPTYPE *  x_out,
bool  diff_beta = false 
)
inlineprotected

sover linear equation: [ 8 -3 2 ][x1] [20] [3] [ 4 11 -1 ][x2] = [33] x = [2] [ 6 3 12 ][x3] [36] [1]

[x1] [ 3/8 -2/8 20/8 ][x1] [x2] = [-4/11 1/11 -33/11][x2] [x3] [-6/12 -3/12 36/12][x3]

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Member Data Documentation

◆ maxiter

int Mixing_Test::maxiter = 10
protected

◆ mixing

Base_Mixing::Mixing* Mixing_Test::mixing = nullptr
protected

◆ mixing_beta

const double Mixing_Test::mixing_beta = 0.6
protected

◆ mixing_ndim

const int Mixing_Test::mixing_ndim = 3
protected

◆ niter

int Mixing_Test::niter = 0
protected

◆ thr

double Mixing_Test::thr = 1e-8
protected

◆ xc_ref

std::vector<std::complex<double> > Mixing_Test::xc_ref
protected
Initial value:
= {
{0.0, 1.0},
{1.0, 0.0},
0.0
}

◆ xd_ref

std::vector<double> Mixing_Test::xd_ref = {0.0, 0.0, 0.0}
protected

◆ xdata

Base_Mixing::Mixing_Data Mixing_Test::xdata
protected

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