MADNESS 0.10.1
Public Member Functions | Private Attributes | List of all members
madness::CoreOrbitalDerivativeFunctor Class Reference

#include <potentialmanager.h>

Inheritance diagram for madness::CoreOrbitalDerivativeFunctor:
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Public Member Functions

 CoreOrbitalDerivativeFunctor (Molecule &molecule, int atom, int axis, unsigned int core, int m)
 
double operator() (const coord_3d &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

const int atom
 
const int axis
 
const unsigned int core
 
const int m
 
const Molecule molecule
 

Additional Inherited Members

- Public Types inherited from madness::FunctionFunctorInterface< double, 3 >
typedef GenTensor< double > coeffT
 
typedef Key< NDIMkeyT
 
typedef double value_type
 
- Public Attributes inherited from madness::FunctionFunctorInterface< double, 3 >
Level special_level_
 

Constructor & Destructor Documentation

◆ CoreOrbitalDerivativeFunctor()

madness::CoreOrbitalDerivativeFunctor::CoreOrbitalDerivativeFunctor ( Molecule molecule,
int  atom,
int  axis,
unsigned int  core,
int  m 
)
inline

Member Function Documentation

◆ operator()()

double madness::CoreOrbitalDerivativeFunctor::operator() ( const coord_3d r) const
inline

Member Data Documentation

◆ atom

const int madness::CoreOrbitalDerivativeFunctor::atom
private

Referenced by operator()().

◆ axis

const int madness::CoreOrbitalDerivativeFunctor::axis
private

Referenced by operator()().

◆ core

const unsigned int madness::CoreOrbitalDerivativeFunctor::core
private

Referenced by operator()().

◆ m

const int madness::CoreOrbitalDerivativeFunctor::m
private

Referenced by operator()().

◆ molecule

const Molecule madness::CoreOrbitalDerivativeFunctor::molecule
private

Referenced by operator()().


The documentation for this class was generated from the following file: