MADNESS
version 0.9
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#include <wavef.h>
Public Member Functions | |
Phikl (const double Z, const double k, const int l, double cutoff) | |
Phikl (madness::World &world, const double Z, const double k, const int l, double cutoff) | |
complexd | operator() (const vector3D &x) const |
You should implement this to return f(x) More... | |
complexd | f11 (const double r) const |
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 |
Phikl::Phikl | ( | const double | Z, |
const double | k, | ||
const int | l, | ||
double | cutoff | ||
) |
Phikl::Phikl | ( | madness::World & | world, |
const double | Z, | ||
const double | k, | ||
const int | l, | ||
double | cutoff | ||
) |
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virtual |
f11 determines when to use the series conhyp and when to use the asymptotic aForm This particular f11 belongs to PhiK. I haven't tested that for Phikl and the C++ design needs to be modified to support it.
Implements ScatteringWF.
References ScatteringWF::aForm(), conhyp(), baseWF::I, ScatteringWF::k_, ScatteringWF::one, and ScatteringWF::Z_.
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virtual |
Implements ScatteringWF.
References ScatteringWF::k_.
You should implement this to return f(x)
Implements baseWF.
References ScatteringWF::cutoff_, and mpfr::fabs().
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virtual |
Implements ScatteringWF.
References baseWF::I, ScatteringWF::k_, and ScatteringWF::Z_.
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virtual |
Implements ScatteringWF.