DIPELM
2.0
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Holds set of bound states. More...
Public Member Functions | |
procedure, pass | print => print_bound |
type(bound) function | new_bound (nb) |
Public Attributes | |
integer, dimension(:), allocatable | stot |
Spin of each state. More... | |
integer, dimension(:), allocatable | mtot |
Symmetry of each state. More... | |
integer, dimension(:), allocatable | gutot |
Gerade/ungerade character of each state. More... | |
real(idp), dimension(:), allocatable | energies |
Bound state energy of each state (Hartree). More... | |
Holds set of bound states.
Holds arrays describing bound state quantum numbers and energies. Array size is equal to the number of bound states.
Note: naming conventions are a holdover from the diatomic version of the UKRmol codes where the z-component of the total angular momentum was a good quantum number.
type(bound) function dipelm_types::bound::new_bound | ( | integer | nb | ) |
procedure, pass dipelm_types::bound::print |
real(idp), dimension(:), allocatable dipelm_types::bound::energies |
Bound state energy of each state (Hartree).
integer, dimension(:), allocatable dipelm_types::bound::gutot |
Gerade/ungerade character of each state.
integer, dimension(:), allocatable dipelm_types::bound::mtot |
Symmetry of each state.
integer, dimension(:), allocatable dipelm_types::bound::stot |
Spin of each state.