a function like f(x) = (1 - exp(-mu x))/(2 gamma) More...
#include <function_interface.h>
Inheritance diagram for madness::SlaterF12Interface:
Collaboration diagram for madness::SlaterF12Interface:
Public Member Functions | |
| SlaterF12Interface (double mu, double lo, double eps, const BoundaryConditions< 6 > &bc=FunctionDefaults< 6 >::get_bc(), int kk=FunctionDefaults< 6 >::get_k()) | |
| constructor: cf the Coulomb kernel More... | |
| coeffT | coeff (const Key< 6 > &key) const |
| overload the function of the base class More... | |
 Public Member Functions inherited from madness::TwoElectronInterface< double, 6 > | |
| TwoElectronInterface (double lo, double eps, const BoundaryConditions< 6 > &bc=FunctionDefaults< 6 >::get_bc(), int kk=FunctionDefaults< 6 >::get_k()) | |
| constructor: cf the Coulomb kernel More... | |
| bool | provides_coeff () const |
| does this functor directly provide sum coefficients? or only function values? More... | |
| coeffT | coeff (const Key< NDIM > &key) const |
| return the coefficients of the function in 6D (x1,y1,z1, x2,y2,z2) More... | |
| double | operator() (const Vector< double, NDIM > &x) const |
You should implement this to return f(x) More... | |
| Public Member Functions inherited from madness::FunctionFunctorInterface< double, 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, 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 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 | values (const keyT &key, const Tensor< double > &tensor) const |
Additional Inherited Members | |
| Public Types inherited from madness::TwoElectronInterface< double, 6 > | |
| typedef GenTensor< double > | coeffT |
| Public Types inherited from madness::FunctionFunctorInterface< double, NDIM > | |
| typedef GenTensor< double > | coeffT |
| typedef Key< NDIM > | keyT |
| Protected Member Functions inherited from madness::TwoElectronInterface< double, 6 > | |
| Tensor< double > | make_coeff (const Key< 6 > &key) const |
| make the coefficients from the 1d convolution More... | |
| Tensor< double > | map_coeff (const Tensor< double > &c) const |
| the dimensions are a bit confused (x1,x2, y1,y2, z1,z2) -> (x1,y1,z1, x2,y2,z2) More... | |
| void | initialize (const double eps) |
| initialize the Gaussian fit; uses the virtual function fit() to fit More... | |
| Protected Attributes inherited from madness::TwoElectronInterface< double, 6 > | |
| std::vector< ConvolutionND < double, 6 > > | ops |
| storing the coefficients More... | |
| int | rank |
| the number of terms in the Gaussian quadrature More... | |
| int | k |
| the wavelet order More... | |
| double | lo |
| the smallest length scale that needs to be represented More... | |
| double | hi |
| the largest length scale that needs to be represented More... | |
Detailed Description
a function like f(x) = (1 - exp(-mu x))/(2 gamma)
Constructor & Destructor Documentation
|
inline |
constructor: cf the Coulomb kernel
- Parameters
-
[in] world the world [in] lo the smallest length scale to be resolved [in] eps the accuracy threshold [in] mu the exponent of the Slater function
References madness::TwoElectronInterface< double, 6 >::initialize().
Member Function Documentation
overload the function of the base class
References c, L, madness::Key< NDIM >::level(), madness::TwoElectronInterface< double, 6 >::make_coeff(), madness::TwoElectronInterface< double, 6 >::map_coeff(), sqrt(), and madness::TT_FULL.
The documentation for this class was generated from the following file:
