#include <znemo.h>

Inheritance diagram for madness::Znemo::s_orbital:

Collaboration diagram for madness::Znemo::s_orbital:

Public Member Functions
	s_orbital (const double &expo, const coord_3d &o)

double_complex	operator() (const coord_3d &xyz1) const

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)` More...

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

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...

void	set_length_scale (double lo)
	adapt the special level to resolve the smallest length scale More...

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

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

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

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

Public Attributes
double	exponent =1.0

coord_3d	origin ={0.0,0.0,0.0}

Public Attributes inherited from madness::FunctionFunctorInterface< double_complex, 3 >
Level	special_level_

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

Constructor & Destructor Documentation

◆ s_orbital()

madness::Znemo::s_orbital::s_orbital	(	const double &	expo,
		const coord_3d &	o
	)

inline

References exponent, and MADNESS_ASSERT.

Member Function Documentation

◆ operator()()

double_complex madness::Znemo::s_orbital::operator() ( const coord_3d & xyz1 ) const

inline

References exponent, madness::Vector< T, N >::normf(), and origin.

Member Data Documentation

◆ exponent

double madness::Znemo::s_orbital::exponent =1.0

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

◆ origin

coord_3d madness::Znemo::s_orbital::origin ={0.0,0.0,0.0}

Referenced by operator()().

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

znemo.h

Public Member Functions

Public Attributes