CoreOrbitalFunctor Class Reference

Inheritance diagram for CoreOrbitalFunctor:

Collaboration diagram for CoreOrbitalFunctor:

Public Member Functions
	CoreOrbitalFunctor (CorePotentialManager &cpm, unsigned int atn, unsigned int core, int m)
double	operator() (const coordT &x) const
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 > &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)
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 std::vector< Vector< double, NDIM > >	special_points () const
	Override this to return list of special points to be refined more deeply.
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
unsigned int	atn
unsigned int	core
CorePotentialManager &	cpm
int	m

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

CoreOrbitalFunctor()

CoreOrbitalFunctor::CoreOrbitalFunctor ( CorePotentialManager &  cpm, unsigned int  atn, unsigned int  core, int  m  )

inline

Member Function Documentation

operator()()

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

inline

References atn, core, madness::CorePotentialManager::core_eval(), cpm, and m.

Member Data Documentation

atn

unsigned int CoreOrbitalFunctor::atn

private

Referenced by operator()().

core

unsigned int CoreOrbitalFunctor::core

private

Referenced by operator()().

cpm

CorePotentialManager& CoreOrbitalFunctor::cpm

private

Referenced by operator()().

m

int CoreOrbitalFunctor::m

private

Referenced by operator()().

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

• mcpfit.cc