The main program
| Type | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|
| integer | :: | jmin |
The min/max values of J = N + l to consider |
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| integer | :: | jmax |
The min/max values of J = N + l to consider |
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| integer | :: | nmin_ft |
The min/max values of N to consider for the frame transformation. |
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| integer | :: | nmax_ft |
The min/max values of N to consider for the frame transformation. |
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| integer | :: | i_n | ||||
| integer | :: | num_n | ||||
| integer, | allocatable | :: | N_values(:) |
Contains the values of N to consider |
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| real(kind=dp) | :: | start | ||||
| real(kind=dp) | :: | finish | ||||
| real(kind=dp) | :: | Eground | ||||
| real(kind=dp), | allocatable | :: | egrid_tot_smat(:) |
The total energy grid for the S-matrix calculations |
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| character(len=:), | allocatable | :: | pcb_output_directory | |||
| character(len=:), | allocatable | :: | tcb_output_directory | |||
| character(len=:), | allocatable | :: | smat_output_directory | |||
| type(N_states_type), | allocatable | :: | n_states(:) |
The states of the system for a given N |
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| type(asymtop_rot_transition_type), | allocatable | :: | transitions_cb(:) | |||
| type(asymtop_rot_transition_type), | allocatable | :: | transitions_smat(:) | |||
| type(rvector_type), | allocatable | :: | Eel_grid_cb(:) |
Array of arrays of electron/collision energies for each transition |
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| type(rvector_type), | allocatable | :: | xs_xcite_tcb(:) |
Array of arrays of the Total and Partial Coulomb-Born cross sections for each transition |
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| type(rvector_type), | allocatable | :: | xs_xcite_pcb(:) |
Array of arrays of the Total and Partial Coulomb-Born cross sections for each transition |
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| type(rvector_type), | allocatable | :: | xs_xcite_smat(:) | |||
| type(rvector_type), | allocatable | :: | xs_dxcite_smat(:) | |||
| type(config_type) | :: | cfg |
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp) | :: | time_start | ||||
| real(kind=dp) | :: | time_end |
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| character(len=1), | intent(in) | :: | rotor_kind | |||
| type(N_states_type), | intent(in) | :: | n_states(:) |
Print the dipole components in the determined ABC frame
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp), | intent(in) | :: | dipole |
Print the dipole components in the determined ABC frame
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp), | intent(in) | :: | dipole_xyz(3) | |||
| character(len=1), | intent(in) | :: | x | |||
| character(len=1), | intent(in) | :: | y | |||
| character(len=1), | intent(in) | :: | z |