MADNESS  0.10.1
Public Member Functions | Private Attributes | List of all members
FermiNucDistFunctor Class Reference
Inheritance diagram for FermiNucDistFunctor:
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Public Member Functions

 FermiNucDistFunctor (int &Z, coord_3d R, double bohr_rad)
 
double operator() (const coord_3d &r) const
 
void print_details (World &world)
 
madness::Level special_level ()
 Override this change level refinement for special points (default is 6) More...
 
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, 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 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

int m_A
 
double m_C
 
std::vector< coord_3dm_R
 
double m_T
 

Additional Inherited Members

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

Constructor & Destructor Documentation

◆ FermiNucDistFunctor()

FermiNucDistFunctor::FermiNucDistFunctor ( int &  Z,
coord_3d  R,
double  bohr_rad 
)
inline

References PI, madness::constants::pi, pow(), R, and Z.

Member Function Documentation

◆ operator()()

double FermiNucDistFunctor::operator() ( const coord_3d r) const
inline

◆ print_details()

void FermiNucDistFunctor::print_details ( World world)
inline

◆ special_level()

madness::Level FermiNucDistFunctor::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> FermiNucDistFunctor::special_points ( ) const
inlinevirtual

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

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

Member Data Documentation

◆ m_A

int FermiNucDistFunctor::m_A
private

◆ m_C

double FermiNucDistFunctor::m_C
private

◆ m_R

std::vector<coord_3d> FermiNucDistFunctor::m_R
private

◆ m_T

double FermiNucDistFunctor::m_T
private

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