MADNESS 0.10.1
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#include <PNOGuessFunctions.h>
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 |
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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 () const |
Override this to change the minimum level of refinement at 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 |
Public Attributes | |
double | exponent |
exponent | |
int | i |
int | j |
int | k |
cartesian exponents | |
double | x |
double | y |
double | z |
origin | |
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Level | special_level_ |
Additional Inherited Members | |
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typedef GenTensor< double > | coeffT |
typedef Key< NDIM > | keyT |
typedef double | value_type |
madness::BasisFunctions::CartesianGaussian::CartesianGaussian | ( | const Atom & | atom, |
const double | e, | ||
const int | i, | ||
const int | j, | ||
const int | k | ||
) |
double madness::BasisFunctions::CartesianGaussian::exponent |
exponent
Referenced by operator()().
int madness::BasisFunctions::CartesianGaussian::i |
Referenced by operator()().
int madness::BasisFunctions::CartesianGaussian::j |
Referenced by operator()().
int madness::BasisFunctions::CartesianGaussian::k |
cartesian exponents
Referenced by operator()().
double madness::BasisFunctions::CartesianGaussian::x |
Referenced by operator()().
double madness::BasisFunctions::CartesianGaussian::y |
Referenced by operator()().
double madness::BasisFunctions::CartesianGaussian::z |
origin
Referenced by operator()().