#include <electronicstructureapp.h>

Inheritance diagram for MolecularNuclearChargeDensityFunctor:

Collaboration diagram for MolecularNuclearChargeDensityFunctor:

Public Member Functions
	MolecularNuclearChargeDensityFunctor (const MolecularEntity &mentity, const double &R, const bool &periodic, const std::vector< coordT > &specialpts)

virtual std::vector< coordT >	special_points () const
	Override this to return list of special points to be refined more deeply. More...

virtual Level	special_level ()
	Override this change level refinement for special points (default is 6) More...

double	operator() (const coordT &x) const

	MolecularNuclearChargeDensityFunctor (const MolecularEntity &mentity, const double &R, const bool &periodic, const std::vector< coordT > &specialpts)

virtual std::vector< coordT >	special_points () const
	Override this to return list of special points to be refined more deeply. More...

virtual Level	special_level ()
	Override this change level refinement for special points (default is 6) More...

double	operator() (const coordT &x) const

Public Member Functions inherited from madness::FunctionFunctorInterface< double, 3 >
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? More...

virtual bool	supports_vectorized () const
	Does the interface support a vectorized operator()? More...

virtual void	operator() (const Vector< double , 1 > &xvals, double fvals, int npts) const

virtual void	operator() (const Vector< double , 2 > &xvals, double fvals, int npts) const

virtual void	operator() (const Vector< double , 3 > &xvals, double fvals, int npts) const

virtual void	operator() (const Vector< double , 4 > &xvals, double fvals, int npts) const

virtual void	operator() (const Vector< double , 5 > &xvals, double fvals, int npts) const

virtual void	operator() (const Vector< double , 6 > &xvals, double fvals, int npts) const

virtual double	operator() (const Vector< double, NDIM > &x) const =0
	You should implement this to return `f(x)` More...

virtual	~FunctionFunctorInterface ()

virtual coeffT	coeff (const keyT &) const

virtual coeffT	values (const keyT &key, const Tensor< double > &tensor) const

virtual bool	provides_coeff () const
	does this functor directly provide sum coefficients? or only function values? More...

Additional Inherited Members
Public Types inherited from madness::FunctionFunctorInterface< double, 3 >
typedef GenTensor< double >	coeffT

typedef Key< NDIM >	keyT

Constructor & Destructor Documentation

MolecularNuclearChargeDensityFunctor::MolecularNuclearChargeDensityFunctor	(	const MolecularEntity &	mentity,
		const double &	R,
		const bool &	periodic,
		const std::vector< coordT > &	specialpts
	)

inline

MolecularNuclearChargeDensityFunctor::MolecularNuclearChargeDensityFunctor	(	const MolecularEntity &	mentity,
		const double &	R,
		const bool &	periodic,
		const std::vector< coordT > &	specialpts
	)