Inheritance diagram for MolecularNuclearPotentialFunctor2:
Collaboration diagram for MolecularNuclearPotentialFunctor2:
Public Member Functions | |
| MolecularNuclearPotentialFunctor2 (World &world, const MolecularEntity &mentity, const double &R, double eps, double lo=1e-12) | |
| Tensor< double > | get_coeff () |
| Tensor< double > | get_expnt () |
| double | operator() (const coordT &r) 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) | |
| virtual bool | provides_coeff () const |
| does this functor directly provide sum coefficients? or only function values? | |
| 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? | |
| void | set_length_scale (double lo) |
| adapt the special level to resolve the smallest length scale | |
| virtual Level | special_level () |
| Override this change level refinement for special points (default is 6) | |
| virtual std::vector< Vector< double, NDIM > > | special_points () const |
| Override this to return list of special points to be refined more deeply. | |
| virtual bool | supports_vectorized () const |
| Does the interface support a vectorized operator()? | |
| virtual coeffT | values (const keyT &key, const Tensor< double > &tensor) const |
Private Attributes | |
| BoundaryConditions< 3 > | bc |
| Tensor< double > | coeff |
| Tensor< double > | expnt |
| MolecularEntity | mentity |
| std::vector< Vector< double, 3 > > | rvecs |
Additional Inherited Members | |
| Public Types inherited from madness::FunctionFunctorInterface< double, 3 > | |
| typedef GenTensor< double > | coeffT |
| typedef Key< NDIM > | keyT |
| typedef double | value_type |
| Public Attributes inherited from madness::FunctionFunctorInterface< double, 3 > | |
| Level | special_level_ |
Constructor & Destructor Documentation
◆ MolecularNuclearPotentialFunctor2()
|
inline |
References bc, madness::BC_PERIODIC, coeff, madness::BaseTensor::dim(), expnt, generate_R_vectors(), madness::FunctionDefaults< NDIM >::get_bc(), madness::FunctionDefaults< NDIM >::get_cell_width(), lo, madness::Tensor< T >::max(), madness::Tensor< T >::normf(), pi, madness::constants::pi, madness::print(), R, rvecs, and madness::Tensor< T >::scale().
Member Function Documentation
◆ get_coeff()
|
inline |
References coeff.
Referenced by test_nuclear_potential2().
◆ get_expnt()
|
inline |
References expnt.
Referenced by test_nuclear_potential2().
◆ operator()()
|
inline |
Member Data Documentation
◆ bc
|
private |
Referenced by MolecularNuclearPotentialFunctor2().
◆ coeff
|
private |
Referenced by MolecularNuclearPotentialFunctor2(), get_coeff(), and operator()().
◆ expnt
|
private |
Referenced by MolecularNuclearPotentialFunctor2(), get_expnt(), and operator()().
◆ mentity
|
private |
Referenced by operator()().
◆ rvecs
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private |
Referenced by MolecularNuclearPotentialFunctor2(), and operator()().
The documentation for this class was generated from the following file:
