madness::GaussianDomainMask Class Reference

Use a Gaussian for the surface function and the corresponding erf for the domain mask. More...

#include <sdf_domainmask.h>

Inheritance diagram for madness::GaussianDomainMask:

Collaboration diagram for madness::GaussianDomainMask:

Public Member Functions
	GaussianDomainMask (double epsilon)
	Constructor for the domain mask. More...
double	mask (double d) const
	Value of characteristic function at normal distance d from the surface. More...
double	dmask (double d) const
	Derivative of characteristic function with respect to the normal distance. More...
double	surface (double d) const
	Value of surface function at distance d normal to surface. More...
double	dsurface (double d) const
	Value of d(surface)/ddistance. More...
virtual	~GaussianDomainMask ()
Public Member Functions inherited from madness::DomainMaskInterface
virtual	~DomainMaskInterface ()

Protected Attributes
const double	epsilon
	The width of the transition region. More...

Detailed Description

Use a Gaussian for the surface function and the corresponding erf for the domain mask.

Constructor & Destructor Documentation

madness::GaussianDomainMask::GaussianDomainMask ( double  epsilon )

inline

Constructor for the domain mask.

Parameters

[in]

epsilon

The effective width of the surface

virtual madness::GaussianDomainMask::~GaussianDomainMask ( )

inlinevirtual

Member Function Documentation

double madness::GaussianDomainMask::dmask ( double  d ) const

inlinevirtual

Derivative of characteristic function with respect to the normal distance.

Parameters

[in]

d

The signed distance

Returns

The derivative

Implements madness::DomainMaskInterface.

References epsilon, mpfr::exp(), mpfr::fabs(), madness::constants::pi, and sqrt().

double madness::GaussianDomainMask::dsurface ( double  d ) const

inlinevirtual

Value of d(surface)/ddistance.

Parameters

[in]

d

The signed distance

Returns

The derivative of the surface function

Implements madness::DomainMaskInterface.

References epsilon, mpfr::exp(), madness::constants::pi, and sqrt().

double madness::GaussianDomainMask::mask ( double  d ) const

inlinevirtual

Value of characteristic function at normal distance d from the surface.

Parameters

[in]

d

The signed distance. Negative is inside,'' positive isoutside.''

Returns

The domain mask

Implements madness::DomainMaskInterface.

References mpfr::erf(), and sqrt().

Referenced by TipMolecule::operator()().

double madness::GaussianDomainMask::surface ( double  d ) const

inlinevirtual

Value of surface function at distance d normal to surface.

Parameters

[in]

d

The signed distance

Returns

The value of the surface function

Implements madness::DomainMaskInterface.

References epsilon, mpfr::exp(), madness::constants::pi, and sqrt().

Referenced by TipMolecule::operator()().

Member Data Documentation

const double madness::GaussianDomainMask::epsilon

protected

The width of the transition region.

Referenced by dmask(), dsurface(), and surface().

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

• sdf_domainmask.h