Function adas.write_adf35

Write an adf35 energy filter from a user supplied fulldata dictionary.

Parameters

file : str

full name of adf35 file.

fulldata : dict

contents of the adf35 file

    'edge'    :  energies of possible discontinuities (eV)
                    array(nedge)
    'energy'  :  energy points of tabulation (eV)
                    array(nenergy)
    'trans'   :  log10 of the transmission fraction
                    array(nenergy)

comments : list

comments for the end of the file as a list of strings.

fmt : str

format for outputting the numerical data, defaults to floating point with 3 decimal places, '{:10.3f}'.

ncol : int

number of columns for numerical data

Notes

The 'edge' array can be empty if there are no discontinuous. 0.0 or None are acceptable values in this case.

If increase precision is needed, adjust the format and/or the number of columns.

Version History

• Martin O'Mullane, 10-08-2023
  • First version

Example

Simple box filter.

>>> import adas as adas
>>> import numpy as np
>>> energy=[0.1, 100, 200, 300]
>>> trans=np.log10(np.asarray([1.0e-36, 1.0, 1.0, 1.0e-36]))
>>> fulldata={'edge' : 0.0, 'energy' : energy, 'trans' : trans}
>>> my_file='/tmp/test_write_adf35.dat'
>>> adas.write_adf35(file=my_file, fulldata=fulldata,
... comments=['C  Testing write_adf35', 'C  By me, today'])