functor for the diamagnetic term in a box More...

Inheritance diagram for madness::harmonic_potential_boxed:

Collaboration diagram for madness::harmonic_potential_boxed:

Public Member Functions
	harmonic_potential_boxed (const double r, const double deviation=FunctionDefaults< 3 >::get_thresh())

double	operator() (const coord_3d &xyz) const

std::vector< coord_3d >	special_points () const
	Override this to return list of special points to be refined more deeply. More...

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 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	radius

double	tightness

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

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 for the diamagnetic term in a box

The diamagnetic term is a 2D harmonic potential, which makes the iterations diverge. Approximate it by making it constant at a specific radius: construct a smooth approximation for the piecewise function f(x)={{x, x<1}, {1,x>1}}, which is squared. For this approximation see https://doi.org/10.1186/s40064-016-3278-y