17 #ifndef ERKALE_COMPPROF
18 #define ERKALE_COMPPROF
20 #include "../global.h"
43 arma::vec get_scanning_exponents(
double min,
double max,
size_t Np);
60 compprof_t compute_completeness(
const ElementBasisSet & bas,
double min=-10.0,
double max=10.0,
size_t Np=2001,
bool coulomb=
false);
arma::vec lga
Logarithms of scanning exponents .
Definition: completeness_profile.h:37
arma::vec Y
Values of completeness profile .
Definition: completeness_profile.h:31
Completeness profiles for a given element.
Definition: completeness_profile.h:35
int am
Angular momentum.
Definition: completeness_profile.h:29
Structure for completeness profile.
Definition: completeness_profile.h:27
Basis set for an element.
Definition: basislibrary.h:102
std::vector< compprof_am_t > shells
Completeness profiles for all angular momenta.
Definition: completeness_profile.h:39