namespace
impl_fprim
Classes
- struct Gaus
- struct OrbitalCoef
- struct Point
Typedefs
- using sigma_func = double(*)(double, double, const Gaus&)
- using float_data_type = float
Functions
- auto pow2(double x) -> double
- auto gauss(sigma_func sigma, const double xs_int[], const Gaus& g) -> double
- auto sigma0(double x, double xs_int, const Gaus& g) -> double
- auto sigma1(double x, double xs_int, const Gaus& g) -> double
- auto sigma2(double x, double xs_int, const Gaus& g) -> double
- auto sigma3(double x, double xs_int, const Gaus& g) -> double
- auto aknint(double x, int n, const Point* data) -> double
- void cromer(int z, double energy_ev, int norb, const OrbitalCoef coefs[], double* f1, double* f2)
- auto calculate_correction(int z) -> double
- auto get_orbital_coefficients(int z, int* n_orb) -> OrbitalCoef*