madness::VLocalFunctor Class Reference

#include <gth_pseudopotential.h>

Inheritance diagram for madness::VLocalFunctor:

Collaboration diagram for madness::VLocalFunctor:

Public Member Functions
	VLocalFunctor (double Zeff, double zi, double C1, double C2, double C3, double C4, const coord_3d &center)
double	operator() (const coord_3d &r) const final
Level	special_level () const final
	Override this to change the minimum level of refinement at special points (default is 6).
std::vector< coord_3d >	special_points () const final
	Override this to return list of special points to be refined more deeply.
Public Member Functions inherited from madness::FunctionFunctorInterface< double, 3 >
	FunctionFunctorInterface ()
virtual	~FunctionFunctorInterface ()
virtual coeffT	coeff (const keyT &) const
virtual void	operator() (const Vector< double *, 1 > &, double *, int) const
virtual void	operator() (const Vector< double *, 2 > &, double *, int) const
virtual void	operator() (const Vector< double *, 3 > &, double *, int) const
virtual void	operator() (const Vector< double *, 4 > &, double *, int) const
virtual void	operator() (const Vector< double *, 5 > &, double *, int) const
virtual void	operator() (const Vector< double *, 6 > &, double *, int) const
virtual double	operator() (const Vector< double, NDIM > &x) const=0
	You should implement this to return f(x).
virtual bool	provides_coeff () const
	does this functor directly provide sum coefficients? or only function values?
virtual bool	screened (const Vector< double, NDIM > &, const Vector< double, NDIM > &) const
	Can we screen this function based on the bounding box information?
void	set_length_scale (double lo)
	adapt the special level to resolve the smallest length scale
virtual bool	supports_vectorized () const
	Does the interface support a vectorized operator()?
virtual coeffT	values (const keyT &, const Tensor< double > &) const

Private Attributes
double	C1
double	C2
double	C3
double	C4
coord_3d	center
std::vector< coord_3d >	specialpts
double	Zeff
double	zi

Additional Inherited Members
Public Types inherited from madness::FunctionFunctorInterface< double, 3 >
typedef GenTensor< double >	coeffT
typedef Key< NDIM >	keyT
typedef double	value_type
Public Attributes inherited from madness::FunctionFunctorInterface< double, 3 >
Level	special_level_

Constructor & Destructor Documentation

VLocalFunctor()

madness::VLocalFunctor::VLocalFunctor ( double Zeff, double zi, double C1, double C2, double C3, double C4, const coord_3d & center )

inline

References C1, C2, C3, C4, center, specialpts, Zeff, and zi.

Member Function Documentation

operator()()

double madness::VLocalFunctor::operator() ( const coord_3d & r ) const

inlinefinal

References C1, C2, C3, C4, center, Zeff, and zi.

special_level()

Level madness::VLocalFunctor::special_level ( ) const

inlinefinalvirtual

Override this to change the minimum level of refinement at special points (default is 6).

Reimplemented from madness::FunctionFunctorInterface< double, 3 >.

References final.

special_points()

std::vector< coord_3d > madness::VLocalFunctor::special_points ( ) const

inlinefinalvirtual

Override this to return list of special points to be refined more deeply.

Reimplemented from madness::FunctionFunctorInterface< double, 3 >.

References final, and specialpts.

Member Data Documentation

C1

double madness::VLocalFunctor::C1

private

Referenced by VLocalFunctor(), and operator()().

C2

double madness::VLocalFunctor::C2

private

Referenced by VLocalFunctor(), and operator()().

C3

double madness::VLocalFunctor::C3

private

Referenced by VLocalFunctor(), and operator()().

C4

double madness::VLocalFunctor::C4

private

Referenced by VLocalFunctor(), and operator()().

center

coord_3d madness::VLocalFunctor::center

private

Referenced by VLocalFunctor(), and operator()().

specialpts

std::vector<coord_3d> madness::VLocalFunctor::specialpts

private

Referenced by VLocalFunctor(), and special_points().

Zeff

double madness::VLocalFunctor::Zeff

private

Referenced by VLocalFunctor(), and operator()().

zi

double madness::VLocalFunctor::zi

private

Referenced by VLocalFunctor(), and operator()().

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

• gth_pseudopotential.h