MADNESS  0.10.1
Public Member Functions | Private Attributes | List of all members
madness::WSTAtomicBasisFunctor Class Reference

#include <solver.h>

Inheritance diagram for madness::WSTAtomicBasisFunctor:
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Public Member Functions

 WSTAtomicBasisFunctor (const AtomicBasisFunction &aofunc, double L, double kx, double ky, double kz)
 
 ~WSTAtomicBasisFunctor ()
 
double_complex operator() (const coord_3d &x) const
 
std::vector< coord_3dspecial_points () const
 Override this to return list of special points to be refined more deeply. More...
 
- Public Member Functions inherited from madness::FunctionFunctorInterface< double_complex, 3 >
 FunctionFunctorInterface ()
 
virtual ~FunctionFunctorInterface ()
 
virtual coeffT coeff (const keyT &) const
 
virtual void operator() (const Vector< double *, 1 > &xvals, double_complex *fvals, int npts) const
 
virtual void operator() (const Vector< double *, 2 > &xvals, double_complex *fvals, int npts) const
 
virtual void operator() (const Vector< double *, 3 > &xvals, double_complex *fvals, int npts) const
 
virtual void operator() (const Vector< double *, 4 > &xvals, double_complex *fvals, int npts) const
 
virtual void operator() (const Vector< double *, 5 > &xvals, double_complex *fvals, int npts) const
 
virtual void operator() (const Vector< double *, 6 > &xvals, double_complex *fvals, int npts) const
 
virtual double_complex 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
 

Private Attributes

const AtomicBasisFunction aofunc
 
double kx
 
double ky
 
double kz
 
double L
 
std::vector< coord_3dspecialpt
 

Additional Inherited Members

- Public Types inherited from madness::FunctionFunctorInterface< double_complex, 3 >
typedef GenTensor< double_complexcoeffT
 
typedef Key< NDIMkeyT
 
typedef double_complex value_type
 
- Public Attributes inherited from madness::FunctionFunctorInterface< double_complex, 3 >
Level special_level_
 

Constructor & Destructor Documentation

◆ WSTAtomicBasisFunctor()

madness::WSTAtomicBasisFunctor::WSTAtomicBasisFunctor ( const AtomicBasisFunction aofunc,
double  L,
double  kx,
double  ky,
double  kz 
)
inline

◆ ~WSTAtomicBasisFunctor()

madness::WSTAtomicBasisFunctor::~WSTAtomicBasisFunctor ( )
inline

Member Function Documentation

◆ operator()()

double_complex madness::WSTAtomicBasisFunctor::operator() ( const coord_3d x) const
inline

References aofunc, I, k, kx, ky, kz, L, madness::constants::pi, R, and madness::sum().

◆ special_points()

std::vector<coord_3d> madness::WSTAtomicBasisFunctor::special_points ( ) const
inlinevirtual

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

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

References specialpt.

Member Data Documentation

◆ aofunc

const AtomicBasisFunction madness::WSTAtomicBasisFunctor::aofunc
private

◆ kx

double madness::WSTAtomicBasisFunctor::kx
private

Referenced by operator()().

◆ ky

double madness::WSTAtomicBasisFunctor::ky
private

Referenced by operator()().

◆ kz

double madness::WSTAtomicBasisFunctor::kz
private

Referenced by operator()().

◆ L

double madness::WSTAtomicBasisFunctor::L
private

Referenced by operator()().

◆ specialpt

std::vector<coord_3d> madness::WSTAtomicBasisFunctor::specialpt
private

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