madness::ProjRLMFunctor Class Reference

#include <gth_pseudopotential.h>

Inheritance diagram for madness::ProjRLMFunctor:

Collaboration diagram for madness::ProjRLMFunctor:

Public Member Functions
	ProjRLMFunctor (double alpha, int l, int m, int i, const coord_3d &center)
double	operator() (const coord_3d &r) const
virtual void	operator() (const Vector< double *, 3 > &xvals, double *MADNESS_RESTRICT fvals, int npts) const
virtual bool	screened (const coord_3d &c1, const coord_3d &c2) const
Level	special_level ()
	Override this change level refinement for special points (default is 6)
std::vector< coord_3d >	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()?
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 coeffT	values (const keyT &key, const Tensor< double > &tensor) const

Static Public Attributes
static const double	gamma_data [17]

Private Attributes
double	alpha
coord_3d	center
int	itmp
int	itmp2
int	l
int	m
std::vector< coord_3d >	specialpts
double	sqrtPI
double	t1

Additional Inherited Members
Public Types inherited from madness::FunctionFunctorInterface< double, 3 >
typedef GenTensor< double >	coeffT
typedef Key< NDIM >	keyT
typedef double	value_type
Public Attributes inherited from madness::FunctionFunctorInterface< double, 3 >
Level	special_level_

Constructor & Destructor Documentation

ProjRLMFunctor()

madness::ProjRLMFunctor::ProjRLMFunctor ( double  alpha, int  l, int  m, int  i, const coord_3d &  center  )

inline

References alpha, gamma_data, itmp, itmp2, l, madness::constants::pi, specialpts, sqrtPI, and t1.

Member Function Documentation

operator()() [1/2]

double madness::ProjRLMFunctor::operator() ( const coord_3d &  r ) const

inline

References alpha, center, itmp2, l, m, MADNESS_EXCEPTION, PI, madness::constants::pi, and t1.

Referenced by screened().

operator()() [2/2]

virtual void madness::ProjRLMFunctor::operator() ( const Vector< double *, 3 > &  xvals, double *MADNESS_RESTRICT  fvals, int  npts  ) const

inlinevirtual

References alpha, center, itmp2, l, m, MADNESS_EXCEPTION, PI, madness::constants::pi, and t1.

screened()

virtual bool madness::ProjRLMFunctor::screened ( const coord_3d &  c1, const coord_3d &  c2  ) const

inlinevirtual

References center, e(), k, MADNESS_EXCEPTION, and operator()().

special_level()

Level madness::ProjRLMFunctor::special_level ( )

inlinevirtual

Override this change level refinement for special points (default is 6)

Reimplemented from madness::FunctionFunctorInterface< double, 3 >.

special_points()

std::vector< coord_3d > madness::ProjRLMFunctor::special_points ( ) const

inlinevirtual

Override this to return list of special points to be refined more deeply.

Reimplemented from madness::FunctionFunctorInterface< double, 3 >.

References specialpts.

supports_vectorized()

virtual bool madness::ProjRLMFunctor::supports_vectorized ( ) const

inlinevirtual

Does the interface support a vectorized operator()?

Reimplemented from madness::FunctionFunctorInterface< double, 3 >.

Member Data Documentation

alpha

double madness::ProjRLMFunctor::alpha

private

Referenced by ProjRLMFunctor(), operator()(), and operator()().

center

coord_3d madness::ProjRLMFunctor::center

private

Referenced by operator()(), operator()(), and screened().

gamma_data

const double madness::ProjRLMFunctor::gamma_data

static

Initial value:

= {1.0, 0.0, 1.0/2.0, 0.0, 3.0/4.0, 0.0, 15.0/8.0, 0.0, 105.0/16.0, 0.0, 
        945.0/32.0, 0.0, 10395.0/64.0, 0.0, 135135.0/128.0, 0.0, 2027025.0/256.0}

Referenced by ProjRLMFunctor().

itmp

int madness::ProjRLMFunctor::itmp

private

Referenced by ProjRLMFunctor().

itmp2

int madness::ProjRLMFunctor::itmp2

private

Referenced by ProjRLMFunctor(), operator()(), and operator()().

l

int madness::ProjRLMFunctor::l

private

Referenced by ProjRLMFunctor(), operator()(), and operator()().

m

int madness::ProjRLMFunctor::m

private

Referenced by operator()(), and operator()().

specialpts

std::vector<coord_3d> madness::ProjRLMFunctor::specialpts

private

Referenced by ProjRLMFunctor(), and special_points().

sqrtPI

double madness::ProjRLMFunctor::sqrtPI

private

Referenced by ProjRLMFunctor().

t1

double madness::ProjRLMFunctor::t1

private

Referenced by ProjRLMFunctor(), operator()(), and operator()().

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

• gth_pseudopotential.h
• gth_pseudopotential.cc