GaussianFunctor Class Reference

Inheritance diagram for GaussianFunctor:

Collaboration diagram for GaussianFunctor:

Public Member Functions
	GaussianFunctor (double alpha)
	GaussianFunctor (double coeff, double expnt)
double	operator() (const coord_3d &r) const
double	operator() (const coordT &x) const
virtual Level	special_level ()
virtual std::vector< coordT >	special_points () const
	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 Level	special_level () const
	Override this to change the minimum level of refinement at special points (default is 6).
virtual bool	supports_vectorized () const
	Does the interface support a vectorized operator()?
virtual coeffT	values (const keyT &, const Tensor< double > &) const

Private Attributes
double	alpha
double	coeff
double	expnt
std::vector< coordT >	specialpts

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

GaussianFunctor() [1/2]

GaussianFunctor::GaussianFunctor ( double alpha )

inline

References alpha.

GaussianFunctor() [2/2]

GaussianFunctor::GaussianFunctor ( double coeff, double expnt )

inline

References coeff, expnt, and specialpts.

Member Function Documentation

operator()() [1/2]

double GaussianFunctor::operator() ( const coord_3d & r ) const

inline

References coeff, and expnt.

operator()() [2/2]

double GaussianFunctor::operator() ( const coordT & x ) const

inline

References alpha.

special_level()

virtual Level GaussianFunctor::special_level ( )

inlinevirtual

special_points()

virtual std::vector< coordT > GaussianFunctor::special_points ( ) const

inlinevirtual

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

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

References specialpts.

Member Data Documentation

alpha

double GaussianFunctor::alpha

private

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

coeff

double GaussianFunctor::coeff

private

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

expnt

double GaussianFunctor::expnt

private

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

specialpts

std::vector<coordT> GaussianFunctor::specialpts

private

Referenced by GaussianFunctor(), and special_points().

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

• mcpfit.cc
• ewald.cc