#include <potentialmanager.h>

Inheritance diagram for madness::MolecularPotentialFunctor:

Collaboration diagram for madness::MolecularPotentialFunctor:

Public Member Functions
	MolecularPotentialFunctor (const Molecule &molecule)

double	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. More...

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

madness::MolecularPotentialFunctor::MolecularPotentialFunctor ( const Molecule & molecule )

inline

Member Function Documentation

double madness::MolecularPotentialFunctor::operator() ( const coord_3d & x ) const

inline

References madness::Molecule::nuclear_attraction_potential().

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

inlinevirtual

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

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

References madness::Molecule::get_all_coords_vec().

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

Public Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

Member Function Documentation