Abstract base class interface required for functors used as input to Functions. More...
#include <function_interface.h>
Public Types | |
| typedef GenTensor< T > | coeffT |
| typedef Key< NDIM > | keyT |
| typedef T | value_type |
Public Member Functions | |
| FunctionFunctorInterface () | |
| virtual | ~FunctionFunctorInterface () |
| virtual coeffT | coeff (const keyT &) const |
| virtual void | operator() (const Vector< double *, 1 > &xvals, T *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 2 > &xvals, T *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 3 > &xvals, T *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 4 > &xvals, T *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 5 > &xvals, T *fvals, int npts) const |
| virtual void | operator() (const Vector< double *, 6 > &xvals, T *fvals, int npts) const |
| virtual T | 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 | |
| Level | special_level_ |
Detailed Description
template<typename T, std::size_t NDIM>
class madness::FunctionFunctorInterface< T, NDIM >
Abstract base class interface required for functors used as input to Functions.
Member Typedef Documentation
◆ coeffT
| typedef GenTensor<T> madness::FunctionFunctorInterface< T, NDIM >::coeffT |
◆ keyT
| typedef Key<NDIM> madness::FunctionFunctorInterface< T, NDIM >::keyT |
◆ value_type
| typedef T madness::FunctionFunctorInterface< T, NDIM >::value_type |
Constructor & Destructor Documentation
◆ FunctionFunctorInterface()
|
inline |
◆ ~FunctionFunctorInterface()
|
inlinevirtual |
Member Function Documentation
◆ coeff()
|
inlinevirtual |
Reimplemented in madness::TwoElectronInterface< T, NDIM >, madness::TwoElectronInterface< double, NDIM >, and madness::TwoElectronInterface< double, 6 >.
References MADNESS_EXCEPTION.
◆ operator()() [1/7]
|
inlinevirtual |
References MADNESS_EXCEPTION.
◆ operator()() [2/7]
|
inlinevirtual |
References MADNESS_EXCEPTION.
◆ operator()() [3/7]
|
inlinevirtual |
References MADNESS_EXCEPTION.
◆ operator()() [4/7]
|
inlinevirtual |
References MADNESS_EXCEPTION.
◆ operator()() [5/7]
|
inlinevirtual |
References MADNESS_EXCEPTION.
◆ operator()() [6/7]
|
inlinevirtual |
References MADNESS_EXCEPTION.
◆ operator()() [7/7]
|
pure virtual |
You should implement this to return f(x)
Implemented in madness::DomainMaskSDFFunctor< NDIM >, madness::TwoElectronInterface< T, NDIM >, madness::TwoElectronInterface< double, NDIM >, madness::TwoElectronInterface< double, 6 >, madness::lr_pot_functor< NDIM >, madness::int_factor_functor< NDIM >, xc_functor< NDIM >, GaussianGuess< NDIM >, GaussianGuess< NDIM >, Gaussian< T, NDIM >, Gaussian< T, NDIM >, BinaryOp< resultT, L, R, opT, NDIM >, DerivativeGaussian< T, NDIM >, Gaussian< T, NDIM >, Gaussian< T, NDIM >, Gaussian< T, NDIM >, Gaussian< T, NDIM >, madness::FunctorInterface< T, NDIM, opT >, madness::ElementaryInterface< T, NDIM >, madness::CompositeFunctorInterface< T, NDIM, MDIM >, madness::ComplexExp< NDIM >, ParserHandler< T, NDIM >, HeNuclearChargeDensityIGuess< T, NDIM >, HeElectronicChargeDensityIGuess< T, NDIM >, and madness::FunctionInterface< T, NDIM, opT >.
◆ provides_coeff()
|
inlinevirtual |
does this functor directly provide sum coefficients? or only function values?
Reimplemented in madness::TwoElectronInterface< T, NDIM >, madness::TwoElectronInterface< double, NDIM >, madness::TwoElectronInterface< double, 6 >, madness::FunctionInterface< T, NDIM, opT >, and madness::CompositeFunctorInterface< T, NDIM, MDIM >.
◆ screened()
|
inlinevirtual |
Can we screen this function based on the bounding box information?
◆ set_length_scale()
|
inline |
adapt the special level to resolve the smallest length scale
References madness::FunctionDefaults< NDIM >::get_cell_width(), lo, madness::Tensor< T >::max(), and madness::FunctionFunctorInterface< T, NDIM >::special_level_.
◆ special_level()
|
inlinevirtual |
Override this change level refinement for special points (default is 6)
Reimplemented in ExactSpinor, ncf, stepfunction, madness::BasisFunctions::SolidHarmonicGaussian, madness::ProjRLMFunctor, madness::VLocalFunctor, slymer::Gaussian_Functor, MolecularNuclearChargeDensityFunctor, GaussianFunctor, MolecularNuclearChargeDensityFunctor, NuclearDensityFunctor, NuclearDensityFunctor, AtomicBasisFunctor< Q >, and FermiNucDistFunctor.
References madness::FunctionFunctorInterface< T, NDIM >::special_level_.
◆ special_points()
|
inlinevirtual |
Override this to return list of special points to be refined more deeply.
Reimplemented in ExactSpinor, ncf, stepfunction, Gaussian< T, NDIM >, madness::MolecularCorePotentialFunctor, madness::MolecularPotentialFunctor, madness::BasisFunctions::SolidHarmonicGaussian, madness::atomic_attraction, madchem::MolecularSecondDerivativeFunctor, madchem::MolecularDerivativeFunctor, madchem::AtomicAttractionFunctor, madchem::AtomicBasisFunctor, madchem::MolecularGuessDensityFunctor, madness::ProjRLMFunctor, madness::VLocalFunctor, slymer::Gaussian_Functor, madness::harmonic_potential_boxed, madness::NuclearCorrelationFactor::U3X_functor, madness::NuclearCorrelationFactor::U2X_functor, madness::NuclearCorrelationFactor::U1X_functor, madness::NuclearCorrelationFactor::RX_functor, madness::NuclearCorrelationFactor::square_times_V_derivative_functor, madness::NuclearCorrelationFactor::square_times_V_functor, madness::NuclearCorrelationFactor::U3_atomic_functor, madness::NuclearCorrelationFactor::U2_atomic_functor, madness::NuclearCorrelationFactor::U3_functor, madness::NuclearCorrelationFactor::U2_functor, madness::NuclearCorrelationFactor::U1_dot_U1_functor, madness::NuclearCorrelationFactor::U1_atomic_functor, madness::NuclearCorrelationFactor::U1_functor, madness::NuclearCorrelationFactor::R_functor, MolecularVolumeExponentialSwitchLogGrad, MolecularVolumeMaskGrad, MolecularSurface, MolecularVolumeExponentialSwitch, MolecularVolumeComplementMask, MolecularVolumeMask, F, Gaussian< T, NDIM >, madness::WSTAtomicBasisFunctor, MolecularNuclearChargeDensityFunctor, GaussianFunctor, AtomicBasisFunctor< Q >, MolecularNuclearChargeDensityFunctor, NuclearDensityFunctor, AtomicOrbitalFunctor, AtomicBasisFunctor< Q >, MolecularPotentialFunctor, NuclearDensityFunctor, AtomicBasisFunctor< Q >, Guess, and FermiNucDistFunctor.
◆ supports_vectorized()
|
inlinevirtual |
Does the interface support a vectorized operator()?
Reimplemented in madness::ProjRLMFunctor.
◆ values()
|
inlinevirtual |
Reimplemented in madness::ElementaryInterface< T, NDIM >.
References MADNESS_EXCEPTION.
Member Data Documentation
◆ special_level_
| Level madness::FunctionFunctorInterface< T, NDIM >::special_level_ |
The documentation for this class was generated from the following file:
