Functor representing the log-derivative of $\epsilon$ along an axis. More...

Inheritance diagram for DSphere:

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Collaboration diagram for DSphere:

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Public Member Functions
	DSphere (const coordT &center, double radius, double sigma)

	DSphere (double Vint, double Vext, int axis)
	Constructor.

double	operator() (const coord_3d &r) const
	Function used by MADNESS to project a function.

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

Public Attributes
const coordT	center

const double	expnt

const double	norm

const double	radius

const double	sigma

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

Protected Member Functions
double	dmask (double s) const
	Derivative of the mask with respect to $s=sdf/\sigma$ .

Private Attributes
const int	axis
	The component of the log-derivative we want.

const double	fac
	The factor multiplying the log-derivative.

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

typedef Key< NDIM >	keyT

typedef double	value_type

Detailed Description

Functor representing the log-derivative of $\epsilon$ along an axis.

A "mask" function is used to smoothly transition from inside the sphere to outside the sphere. The width of this transition region is $\mathcal{O}(\sigma)$ .

Constructor & Destructor Documentation

◆ DSphere() [1/2]

DSphere::DSphere	(	double	Vint,
		double	Vext,
		int	axis
	)

inline

Constructor.

Parameters

[in]	Vint	The dielectric inside the sphere.
[in]	Vext	The dielectric outside the sphere.
[in]	axis	The component of the log-derivative to project with this functor.

◆ DSphere() [2/2]

DSphere::DSphere	(	const coordT &	center,
		double	radius,
		double	sigma
	)

inline

Member Function Documentation

◆ dmask()

double DSphere::dmask ( double s ) const

inlineprotected

Derivative of the mask with respect to $s=sdf/\sigma$ .

Parameters

[in] s The signed distance (in units of $\sigma$ ) from the surface of the sphere.

Returns: The derivative of the mask.

References madness::constants::pi.

Referenced by operator()().

◆ operator()() [1/2]

double DSphere::operator() ( const coord_3d & r ) const

inline

Function used by MADNESS to project a function.

Parameters

[in] r The coordinate at which to evaluate the function.

Returns: The value of the component of the log-derivative at the point.

References axis, d, dmask(), fac, R, and sigma.

◆ operator()() [2/2]

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

inline

References madness::arg(), center, dist(), expnt, norm, and radius.

Member Data Documentation

◆ axis

const int DSphere::axis

private

The component of the log-derivative we want.

Referenced by operator()().

◆ center

const coordT DSphere::center

Referenced by operator()().

◆ expnt

const double DSphere::expnt

Referenced by operator()().

◆ fac

const double DSphere::fac

private

The factor multiplying the log-derivative.

Referenced by operator()().

◆ norm

const double DSphere::norm

Referenced by operator()().

◆ radius

const double DSphere::radius

Referenced by operator()().

◆ sigma

const double DSphere::sigma

Referenced by operator()().

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

Public Member Functions

Public Attributes

Protected Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ DSphere() [1/2]

◆ DSphere() [2/2]

Member Function Documentation

◆ dmask()

◆ operator()() [1/2]

◆ operator()() [2/2]

Member Data Documentation

◆ axis

◆ center

◆ expnt

◆ fac

◆ norm

◆ radius

◆ sigma