psi::SphericalTransform Class Reference

#include <integral.h>

Inheritance diagram for psi::SphericalTransform:

Public Member Functions
	SphericalTransform (int l, int subl=-1)
virtual	~SphericalTransform ()
int	cartindex (int i) const
	Returns the Cartesian basis function index of component i. More...
int	pureindex (int i) const
	Returns the spherical harmonic basis index of component i. More...
double	coef (int i) const
	Returns the transformation coefficient of component i. More...
int	a (int i) const
	Returns the Cartesian basis function's x exponent of component i. More...
int	b (int i) const
	Returns the Cartesian basis function's y exponent of component i. More...
int	c (int i) const
	Returns the Cartesian basis function's z exponent of component i. More...
int	n () const
	Returns the number of components in the transformation. More...
int	l () const
	Returns the angular momentum. More...

Protected Member Functions
	SphericalTransform ()
virtual void	init ()

Protected Attributes
std::vector < SphericalTransformComponent >	components_
int	l_
int	subl_

Detailed Description

This is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation.

Constructor & Destructor Documentation

SphericalTransform::SphericalTransform ( )

protected

SphericalTransform::SphericalTransform	(	int	l,
		int	subl = -1
	)

virtual psi::SphericalTransform::~SphericalTransform ( )

inlinevirtual

Member Function Documentation

int psi::SphericalTransform::a ( int  i ) const

inline

Returns the Cartesian basis function's x exponent of component i.

int psi::SphericalTransform::b ( int  i ) const

inline

Returns the Cartesian basis function's y exponent of component i.

int psi::SphericalTransform::c ( int  i ) const

inline

Returns the Cartesian basis function's z exponent of component i.

int psi::SphericalTransform::cartindex ( int  i ) const

inline

Returns the Cartesian basis function index of component i.

double psi::SphericalTransform::coef ( int  i ) const

inline

Returns the transformation coefficient of component i.

void SphericalTransform::init ( )

protectedvirtual

Reimplemented in psi::ISphericalTransform.

int psi::SphericalTransform::l ( ) const

inline

Returns the angular momentum.

int psi::SphericalTransform::n ( ) const

inline

Returns the number of components in the transformation.

int psi::SphericalTransform::pureindex ( int  i ) const

inline

Returns the spherical harmonic basis index of component i.

Member Data Documentation

std::vector<SphericalTransformComponent> psi::SphericalTransform::components_

protected

int psi::SphericalTransform::l_

protected

int psi::SphericalTransform::subl_

protected

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

• integral.h
• libmints/transform.cc