madness::Znemo::s_orbital Struct Reference

#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 override
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 > &, double_complex *, int) const
virtual bool	provides_coeff () const
	does this functor directly provide sum coefficients? or only function values?
virtual bool	screened (const Vector< double, NDIM > &, const Vector< double, NDIM > &) 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 () const
	Override this to change the minimum level of refinement at 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 &, const Tensor< double > &) 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, MADNESS_ASSERT, and origin.

Member Function Documentation

operator()()

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

inlineoverride

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 s_orbital(), and operator()().

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

• znemo.h