51 std::complex<double>
get(
double p)
const;
57 std::vector< std::vector<RadialSlater> >
radf;
63 SlaterEMDEvaluator(
const std::vector< std::vector<RadialSlater> > &
radf,
const std::vector< std::vector<size_t> > & idfuncsv,
const std::vector< std::vector<ylmcoeff_t> > & clm,
const std::vector<size_t> & locv,
const std::vector<coords_t> & coord,
const arma::cx_mat & Pv);
void update_pointers()
Update the pointer lists.
Definition: emd_sto.cpp:78
std::vector< std::vector< RadialSlater > > radf
The radial functions.
Definition: emd_sto.h:57
RadialSlater(int n, int l, double zeta)
Constructor.
Definition: emd_sto.cpp:21
double getzeta() const
Get zeta.
Definition: emd_sto.cpp:37
SlaterEMDEvaluator & operator=(const SlaterEMDEvaluator &rhs)
Definition: emd_sto.cpp:67
SlaterEMDEvaluator(const std::vector< std::vector< RadialSlater > > &radf, const std::vector< std::vector< size_t > > &idfuncsv, const std::vector< std::vector< ylmcoeff_t > > &clm, const std::vector< size_t > &locv, const std::vector< coords_t > &coord, const arma::cx_mat &Pv)
Constructor.
Definition: emd_sto.cpp:54
~SlaterEMDEvaluator()
Destructor.
Definition: emd_sto.cpp:63
Class for (basis set independent) normalized radial wfs.
Definition: emd.h:41
Slater-type radial function.
Definition: emd_sto.h:28
int getn() const
Get n value.
Definition: emd_sto.cpp:33
void print() const
Print expansion.
Definition: emd_sto.cpp:29
int l
l value
Definition: emd.h:44
double zeta
l value is already in RadialFourier
Definition: emd_sto.h:34
Radial EMD evaluator.
Definition: emd.h:122
EMD in Slater basis set.
Definition: emd_sto.h:55
int n
n value
Definition: emd_sto.h:30
~RadialSlater()
Destructor.
Definition: emd_sto.cpp:26