Computes the electrostatic potential due to a Gaussian charge distribution. More...

Inheritance diagram for GaussianPotential:

Collaboration diagram for GaussianPotential:

Public Types
typedef Vector< double, 3 >	coordT

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

typedef Key< NDIM >	keyT

typedef double	value_type

Public Member Functions
	GaussianPotential (const coordT &center, double expnt, double coefficient)

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)` 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
const coordT	center

const double	coefficient

const double	exponent

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

Detailed Description

Computes the electrostatic potential due to a Gaussian charge distribution.

Member Typedef Documentation

◆ coordT

typedef Vector<double,3> GaussianPotential::coordT

Constructor & Destructor Documentation

◆ GaussianPotential()

GaussianPotential::GaussianPotential	(	const coordT &	center,
		double	expnt,
		double	coefficient
	)

inline

Member Function Documentation

◆ operator()()

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

inline

References a, madness::constants::pi, and madness::sum().

Member Data Documentation

◆ center

const coordT GaussianPotential::center

◆ coefficient

const double GaussianPotential::coefficient

◆ exponent

const double GaussianPotential::exponent

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

testsuite.cc

Public Types

Public Member Functions

Public Attributes