#include <wavef.h>
Inheritance diagram for PhiK:
Collaboration diagram for PhiK:
Public Member Functions | |
| PhiK (madness::World &world, const double Z, const vector3D &kVec, double cutoff) | |
| PhiK (const double Z, const vector3D &kVec, double cutoff) | |
| complexd | operator() (const vector3D &x) const |
You should implement this to return f(x) More... | |
| complexd | f11 (const double r) const |
| f11(double) determines when to use the series conhyp and when to use the asymptotic aForm More... | |
| complexd | setAA () |
| complexd | setBB () |
| double | getk () const |
 Public Member Functions inherited from ScatteringWF | |
| ScatteringWF (madness::World &world, const double Z, double cutoff) | |
| ScatteringWF (const double Z, double cutoff) | |
| void | Init (madness::World &world) |
| complexd | aForm (complexd ZZ) const |
| complexd | gamma (double re, double im) |
| complexd | gamma (complexd AA) |
| Public Member Functions inherited from madness::FunctionFunctorInterface< complexd, NDIM > | |
| 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... | |
| virtual bool | supports_vectorized () const |
| Does the interface support a vectorized operator()? More... | |
| virtual void | operator() (const Vector< double *, 1 > &xvals, complexd *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 2 > &xvals, complexd *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 3 > &xvals, complexd *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 4 > &xvals, complexd *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 5 > &xvals, complexd *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 6 > &xvals, complexd *fvals, int npts) const |
| virtual std::vector< Vector < double, NDIM > > | special_points () const |
| Override this to return list of special points to be refined more deeply. More... | |
| virtual Level | special_level () |
| Override this change level refinement for special points (default is 6) More... | |
| virtual | ~FunctionFunctorInterface () |
| virtual coeffT | coeff (const keyT &) const |
| virtual coeffT | values (const keyT &key, const Tensor< double > &tensor) const |
| virtual bool | provides_coeff () const |
| does this functor directly provide sum coefficients? or only function values? More... | |
Additional Inherited Members | |
| Public Types inherited from baseWF | |
| typedef std::complex< double > | complexd |
| typedef madness::Vector < double, NDIM > | vector3D |
| Public Types inherited from madness::FunctionFunctorInterface< complexd, NDIM > | |
| typedef GenTensor< complexd > | coeffT |
| typedef Key< NDIM > | keyT |
| Public Attributes inherited from ScatteringWF | |
| CubicInterpolationTable< complexd > | fit1F1 |
| const double | Z_ |
| const double | cutoff_ |
| complexd | one |
| double | dx |
| double | k_ |
| complexd | AA |
| complexd | BB |
| complexd | gammaBB |
| complexd | expmIPIAArGammaBBmAA |
| complexd | expPIZ_2kXgamma1pIZ_k |
| complexd | rGammaAA |
| complexd | AAmBB |
| complexd | mAA |
| double | domain |
| int | n |
| Static Public Attributes inherited from baseWF | |
| static const complexd | I |
| static const double | PI = M_PI |
Constructor & Destructor Documentation
| PhiK::PhiK | ( | madness::World & | world, |
| const double | Z, | ||
| const vector3D & | kVec, | ||
| double | cutoff | ||
| ) |
| PhiK::PhiK | ( | const double | Z, |
| const vector3D & | kVec, | ||
| double | cutoff | ||
| ) |
Member Function Documentation
|
virtual |
f11(double) determines when to use the series conhyp and when to use the asymptotic aForm
Implements ScatteringWF.
References ScatteringWF::AA, ScatteringWF::aForm(), ScatteringWF::BB, conhyp(), ScatteringWF::k_, and ScatteringWF::Z_.
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virtual |
Implements ScatteringWF.
References sqrt().
You should implement this to return f(x)
Implements baseWF.
References ScatteringWF::cutoff_, mpfr::exp(), ScatteringWF::expPIZ_2kXgamma1pIZ_k, mpfr::fabs(), ScatteringWF::fit1F1, baseWF::I, ScatteringWF::k_, and sqrt().
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virtual |
Implements ScatteringWF.
References baseWF::I, ScatteringWF::k_, and ScatteringWF::Z_.
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virtual |
Implements ScatteringWF.
The documentation for this class was generated from the following files:
