alpha() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
alpha_ (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | private |
B() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
beta() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
beta_ (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | private |
calculate_ak_coefficients(sddk::mdarray< double, 5 > &ak) (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inlineprivate |
compute_hubbard_matrix() | sirius::hubbard_orbital_descriptor | inlineprivate |
E2() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
E3() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
f() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
f_ (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | private |
hubbard_coefficients_ | sirius::hubbard_orbital_descriptor | private |
hubbard_F_coefficients() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inlineprivate |
hubbard_matrix(const int m1, const int m2, const int m3, const int m4) const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
hubbard_matrix(const int m1, const int m2, const int m3, const int m4) (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
hubbard_matrix_ (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | private |
hubbard_orbital_descriptor() | sirius::hubbard_orbital_descriptor | inline |
hubbard_orbital_descriptor(const int n__, const int l__, const int orbital_index__, const double occ__, const double J__, const double U__, const double *hub_coef__, const double alpha__, const double beta__, const double J0__, std::vector< double > initial_occupancy__, Spline< double > f__, bool use_for_calculations__, int idx_wf__) | sirius::hubbard_orbital_descriptor | inline |
hubbard_orbital_descriptor(hubbard_orbital_descriptor &&src) | sirius::hubbard_orbital_descriptor | inline |
idx_wf() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
idx_wf_ | sirius::hubbard_orbital_descriptor | private |
initial_occupancy() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
initial_occupancy_ (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | private |
initialize_hubbard_matrix() (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inlineprivate |
J() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
J0() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
J0_ (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | private |
J_ | sirius::hubbard_orbital_descriptor | private |
l() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
l_ | sirius::hubbard_orbital_descriptor | private |
n() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
n_ | sirius::hubbard_orbital_descriptor | private |
occupancy() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
occupancy_ | sirius::hubbard_orbital_descriptor | private |
U() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
U_ | sirius::hubbard_orbital_descriptor | private |
U_minus_J() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
use_for_calculation() const (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |
use_for_calculation_ | sirius::hubbard_orbital_descriptor | private |
~hubbard_orbital_descriptor() (defined in sirius::hubbard_orbital_descriptor) | sirius::hubbard_orbital_descriptor | inline |