Collaboration diagram for GramSchmidtOrth:

Public Member Functions
	GramSchmidtOrth (int nbasis, int ndim, double dr, ModuleBase::Gram_Schmidt_Orth< double, double >::Coordinate coordinate)

double	inner_product (std::vector< double > a, std::vector< double > b)

Public Attributes
int	nbasis

int	ndim

double	dr

std::vector< double >	r2

double	norm0

ModuleBase::Gram_Schmidt_Orth< double, double >::Coordinate	coordinate

std::vector< double >	rab

std::vector< std::vector< double > >	basis

Detailed Description

Based on an linearly independent, but not orthonormal, set of functions x:{x1,x2,x3,...}, we can construct an orthonormal set X:{X1, X2, X3, ...} by using Gram-Schmidt orthogonalization. The new set X should has below properties:

X1 = x1/||x1||
<Xi,Xj> = 1 if (i == j) else 0

Note:in this class, for coordinate of sphere, the inner product of two radial function f(r) and g(r) equals the integral of r^2*f(r)*g(r) $$ (f(r),g(r)) = {\int}r^2f(r)g(r)dr $$

Constructor & Destructor Documentation

◆ GramSchmidtOrth()

GramSchmidtOrth::GramSchmidtOrth	(	int	nbasis,
		int	ndim,
		double	dr,
		ModuleBase::Gram_Schmidt_Orth< double, double >::Coordinate	coordinate
	)

inline

Member Function Documentation

◆ inner_product()

double GramSchmidtOrth::inner_product	(	std::vector< double >	a,
		std::vector< double >	b
	)

inline

Here is the call graph for this function:

Here is the caller graph for this function:

Member Data Documentation

◆ basis

std::vector<std::vector<double> > GramSchmidtOrth::basis

◆ coordinate

ModuleBase::Gram_Schmidt_Orth<double,double>::Coordinate GramSchmidtOrth::coordinate

◆ dr

double GramSchmidtOrth::dr

◆ nbasis

int GramSchmidtOrth::nbasis

◆ ndim

int GramSchmidtOrth::ndim

◆ norm0

double GramSchmidtOrth::norm0

◆ r2

std::vector<double> GramSchmidtOrth::r2

◆ rab

std::vector<double> GramSchmidtOrth::rab

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

/home/runner/work/abacus-develop/abacus-develop/source/source_base/test/gram_schmidt_orth_test.cpp

Public Member Functions

Public Attributes