Function adas.adf15_transition

Interrogates the comment section of an adas208 generated adf15 file and returns details of the wavelengths, types and transitions details of the PECs. Indices of the upper and lower configuration, the configuration and quantumn numbers of levels in the adf04 file and, where possible, the power ranking and transition index in the adf04 file.

Parameters

comments : str, list

the comment section of the adf15 file

Returns

info : dict

information extracted

 config    :  configurations in adf04 source file
 qm_s      :  2S+1
 qm_l      :  orbital momentumn (S, P, D etc)
 qm_stat   :  (statistical weight - 1) / 2
 wave      :  wavelengths (A)
 tran_type :  transition type - EXCIT, RECOM, CXEXC or None
 lower     :  index of config/quantunm nos. of lower level
 upper     :                                   upper
 tr_index  :   index of transition in adf04 file
 pr_index  :   power rank (of excitation PEC)

Notes

Pure python code.

This routine parses the comment section of adf15 files. The comments are not defined but this routine should work with adf15 files produced by adas208 but there is no guarantee that it will work on any particular adf15 file.

Note that the configuration and transition indices start at 1, as in the adf04 definition, and not at 0 (python-like).

Version History

• Martin O'Mullane, 16-12-2021
  • First version

Example

Print the transition information for the PECs of neutral lithium.

>>> import adas as adas
>>> file='/home/adas/adas/adf15/pec96#li/pec96#li_pju#li0.dat'
>>> comments = adas.xxcomments(file)
>>> info = adas.adf15_transition(comments)
>>> for u,l,t in zip(info['upper'], info['lower'], info['tran_type']): print(u, '->', l,t)
2 -> 1 EXCIT
4 -> 1 EXCIT
7 -> 1 EXCIT