madness::WSTAtomicBasisFunctor Class Reference

#include <solver.h>

Inheritance diagram for madness::WSTAtomicBasisFunctor:

Collaboration diagram for madness::WSTAtomicBasisFunctor:

Public Member Functions
	WSTAtomicBasisFunctor (const AtomicBasisFunction &aofunc, double L, double kx, double ky, double kz)
	~WSTAtomicBasisFunctor ()
double_complex	operator() (const coord_3d &x) const
std::vector< coord_3d >	special_points () const
	Override this to return list of special points to be refined more deeply.
Public Member Functions inherited from madness::FunctionFunctorInterface< double_complex, 3 >
	FunctionFunctorInterface ()
virtual	~FunctionFunctorInterface ()
virtual coeffT	coeff (const keyT &) const
virtual void	operator() (const Vector< double *, 1 > &xvals, double_complex *fvals, int npts) const
virtual void	operator() (const Vector< double *, 2 > &xvals, double_complex *fvals, int npts) const
virtual void	operator() (const Vector< double *, 3 > &xvals, double_complex *fvals, int npts) const
virtual void	operator() (const Vector< double *, 4 > &xvals, double_complex *fvals, int npts) const
virtual void	operator() (const Vector< double *, 5 > &xvals, double_complex *fvals, int npts) const
virtual void	operator() (const Vector< double *, 6 > &xvals, double_complex *fvals, int npts) const
virtual double_complex	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 > &c1, const Vector< double, NDIM > &c2) 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 ()
	Override this change level refinement for special points (default is 6)
virtual bool	supports_vectorized () const
	Does the interface support a vectorized operator()?
virtual coeffT	values (const keyT &key, const Tensor< double > &tensor) const

Private Attributes
const AtomicBasisFunction	aofunc
double	kx
double	ky
double	kz
double	L
std::vector< coord_3d >	specialpt

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

Constructor & Destructor Documentation

WSTAtomicBasisFunctor()

madness::WSTAtomicBasisFunctor::WSTAtomicBasisFunctor ( const AtomicBasisFunction &  aofunc, double  L, double  kx, double  ky, double  kz  )

inline

References aofunc, madness::AtomicBasisFunction::get_coords(), and specialpt.

~WSTAtomicBasisFunctor()

madness::WSTAtomicBasisFunctor::~WSTAtomicBasisFunctor ( )

inline

Member Function Documentation

operator()()

double_complex madness::WSTAtomicBasisFunctor::operator() ( const coord_3d &  x ) const

inline

References aofunc, I, k, kx, ky, kz, L, madness::constants::pi, R, and sum.

special_points()

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

inlinevirtual

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

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

References specialpt.

Member Data Documentation

aofunc

const AtomicBasisFunction madness::WSTAtomicBasisFunctor::aofunc

private

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

kx

double madness::WSTAtomicBasisFunctor::kx

private

Referenced by operator()().

ky

double madness::WSTAtomicBasisFunctor::ky

private

Referenced by operator()().

kz

double madness::WSTAtomicBasisFunctor::kz

private

Referenced by operator()().

L

double madness::WSTAtomicBasisFunctor::L

private

Referenced by operator()().

specialpt

std::vector<coord_3d> madness::WSTAtomicBasisFunctor::specialpt

private

Referenced by WSTAtomicBasisFunctor(), and special_points().

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

• solver.h