#include <PNOGuessFunctions.h>
Inheritance diagram for madness::BasisFunctions::CartesianGaussian:
Collaboration diagram for madness::BasisFunctions::CartesianGaussian:
Public Member Functions | |
| CartesianGaussian (const Atom &atom, const double e, const int i, const int j, const int k) | |
| double | operator() (const coord_3d &xyz) const |
 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 Level | special_level () |
| Override this change level refinement for special points (default is 6) More... | |
| virtual std::vector< Vector< double, NDIM > > | special_points () const |
| Override this to return list of special points to be refined more deeply. 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 |
Public Attributes | |
| double | exponent |
| exponent More... | |
| int | i |
| int | j |
| int | k |
| cartesian exponents More... | |
| double | x |
| double | y |
| double | z |
| origin More... | |
| Public Attributes inherited from madness::FunctionFunctorInterface< double, 3 > | |
| Level | special_level_ |
Additional Inherited Members | |
| Public Types inherited from madness::FunctionFunctorInterface< double, 3 > | |
| typedef GenTensor< double > | coeffT |
| typedef Key< NDIM > | keyT |
| typedef double | value_type |
Constructor & Destructor Documentation
◆ CartesianGaussian()
| madness::BasisFunctions::CartesianGaussian::CartesianGaussian | ( | const Atom & | atom, |
| const double | e, | ||
| const int | i, | ||
| const int | j, | ||
| const int | k | ||
| ) |
Member Function Documentation
◆ operator()()
|
inline |
Member Data Documentation
◆ exponent
| double madness::BasisFunctions::CartesianGaussian::exponent |
exponent
Referenced by operator()().
◆ i
| int madness::BasisFunctions::CartesianGaussian::i |
Referenced by operator()().
◆ j
| int madness::BasisFunctions::CartesianGaussian::j |
Referenced by operator()().
◆ k
| int madness::BasisFunctions::CartesianGaussian::k |
cartesian exponents
Referenced by operator()().
◆ x
| double madness::BasisFunctions::CartesianGaussian::x |
Referenced by operator()().
◆ y
| double madness::BasisFunctions::CartesianGaussian::y |
Referenced by operator()().
◆ z
| double madness::BasisFunctions::CartesianGaussian::z |
origin
Referenced by operator()().
The documentation for this class was generated from the following file:
