dipelm_types::channels Interface Reference
Holds set of partial wave channels. More...
Collaboration diagram for dipelm_types::channels:
Public Member Functions | |
| procedure, pass | print => print_channels |
| procedure, pass | occupancy => channels_occupancy |
| Maps each ichl(i), lchl(i), mchl(i) to a single canonical channel index and returns an array that indicates which canonical channels are occupied. More... | |
| type(channels) function | new_channels (ni, nc) |
Public Attributes | |
| type(bound) | ion_states |
| The ionic state quantum numbers and energies. More... | |
| integer, dimension(:), allocatable | ichl |
| The ionic state index More... | |
| integer, dimension(:), allocatable | lchl |
| l character of partial waves More... | |
| integer, dimension(:), allocatable | mchl |
| m character of partial waves More... | |
| real(idp), dimension(:), allocatable | threshold_energies |
| The channel threshold energies relative to the ionic ground state (Hartree). More... | |
Detailed Description
Holds set of partial wave channels.
Holds arrays describing partial wave scattering/photoionization channels. A channel is specified by final ionic state and l and m quantum number of the partial wave (expansion of the continuum electron in an angular momentum basis).
Note: Only symmetry allowed channels are stored occupancy.
Member Function/Subroutine Documentation
◆ new_channels()
| type(channels) function dipelm_types::channels::new_channels | ( | integer | ni, |
| integer | nc | ||
| ) |
◆ occupancy()
| procedure, pass dipelm_types::channels::occupancy |
Maps each ichl(i), lchl(i), mchl(i) to a single canonical channel index and returns an array that indicates which canonical channels are occupied.
Here is the call graph for this function:
◆ print()
| procedure, pass dipelm_types::channels::print |
Member Data Documentation
◆ ichl
| integer, dimension(:), allocatable dipelm_types::channels::ichl |
The ionic state index
◆ ion_states
| type(bound) dipelm_types::channels::ion_states |
The ionic state quantum numbers and energies.
◆ lchl
| integer, dimension(:), allocatable dipelm_types::channels::lchl |
l character of partial waves
◆ mchl
| integer, dimension(:), allocatable dipelm_types::channels::mchl |
m character of partial waves
◆ threshold_energies
| real(idp), dimension(:), allocatable dipelm_types::channels::threshold_energies |
The channel threshold energies relative to the ionic ground state (Hartree).
The documentation for this interface was generated from the following file:
- /home/jacob/Work/codes/UKRmol/gitlab/ukrmol-out/source/dipelm/dipelm_types.f90
