Provides all information about an atomic kind. More...
Collaboration diagram for atom_types::atom_type:
Private Attributes | |
| INTEGER | z |
| INTEGER | zcore |
| LOGICAL | pp_calc |
| INTEGER | method_type |
| INTEGER | relativistic |
| INTEGER | coulomb_integral_type |
| INTEGER | exchange_integral_type |
| REAL(KIND=dp) | weight |
| TYPE(atom_basis_type), pointer | basis |
| TYPE(atom_potential_type), pointer | potential |
| TYPE(atom_state), pointer | state |
| TYPE(atom_integrals), pointer | integrals |
| TYPE(atom_orbitals), pointer | orbitals |
| TYPE(atom_energy_type) | energy |
| TYPE(atom_optimization_type) | optimization |
| TYPE(section_vals_type), pointer | xc_section |
Detailed Description
Provides all information about an atomic kind.
Definition at line 221 of file atom_types.f90.
Member Data Documentation
TYPE(atom_basis_type),pointer atom_types::atom_type::basis [private] |
Definition at line 230 of file atom_types.f90.
Definition at line 227 of file atom_types.f90.
TYPE(atom_energy_type) atom_types::atom_type::energy [private] |
Definition at line 235 of file atom_types.f90.
Definition at line 228 of file atom_types.f90.
TYPE(atom_integrals),pointer atom_types::atom_type::integrals [private] |
Definition at line 233 of file atom_types.f90.
INTEGER atom_types::atom_type::method_type [private] |
Definition at line 225 of file atom_types.f90.
TYPE(atom_optimization_type) atom_types::atom_type::optimization [private] |
Definition at line 236 of file atom_types.f90.
TYPE(atom_orbitals),pointer atom_types::atom_type::orbitals [private] |
Definition at line 234 of file atom_types.f90.
TYPE(atom_potential_type),pointer atom_types::atom_type::potential [private] |
Definition at line 231 of file atom_types.f90.
LOGICAL atom_types::atom_type::pp_calc [private] |
Definition at line 224 of file atom_types.f90.
INTEGER atom_types::atom_type::relativistic [private] |
Definition at line 226 of file atom_types.f90.
TYPE(atom_state),pointer atom_types::atom_type::state [private] |
Definition at line 232 of file atom_types.f90.
REAL(KIND=dp) atom_types::atom_type::weight [private] |
Definition at line 229 of file atom_types.f90.
TYPE(section_vals_type),pointer atom_types::atom_type::xc_section [private] |
Definition at line 237 of file atom_types.f90.
INTEGER atom_types::atom_type::z [private] |
Definition at line 222 of file atom_types.f90.
INTEGER atom_types::atom_type::zcore [private] |
Definition at line 223 of file atom_types.f90.
The documentation for this struct was generated from the following file:
