Function adas.write_adf01
def write_adf01(file=None, fulldata=None, comments=None)
-
Write an adf01 charge transfer cross section file from a user supplied fulldata dictionary.
Parameters
file
:str
- full name of adf01 file.
fulldata
:dict
- contents of the adf01 file
'symbr' : receiver ion element symbol. 'symbd' : donor ion element symbol. 'izr' : ion charge of receiver. 'izd' : ion charge of donor. 'indd' : donor state index. 'nenrgy' : number of energies in file. 'nmin' : lowest n-shell for which data read. 'nmax' : highest n-shell for which data read. 'lparms' : flag if l-splitting parameters present. True => l-splitting parameters present. False => l-splitting parameters absent. 'lsetl' : flag if l-resolved data present. True => l-resolved data present. False => l-resolved data absent. 'enrgya' : collision energies (eV/amu). dimension: energy index 'alphaa' : extrapolation parameter alpha. dimension: energy index 'lforma' : parameters for calculating l-res x-sec. dimension: energy index 'xlcuta' : parameters for calculating l-res x-sec. dimension: energy index 'pl2a' : parameters for calculating l-res x-sec. dimension: energy index 'pl3a' : parameters for calculating l-res x-sec. dimension: energy index 'sigta' : total charge exchange cross-section (cm2). dimension: energy index 'signa' : n-resolved charge exchange cross-sections (cm2). 1st dimension: energy index 2nd dimension: n-shell 'sigla' : l-resolved charge exchange cross-sections (cm2). 1st dimension: energy index 2nd dimension: indexed by i4idfl(n,l)
comments
:list
, optional- comments for the end of the file as a list of strings.
Notes
References
ADAS manual description of adf01: http://www.adas.ac.uk/man/appxa-01.pdf
Version History
-
Martin O'Mullane, 03-06-2021
- First version
-
Martin O'Mullane, 28-11-2021
- Adjust format statements due to change in array2strlist.
Example
Round trip of C6+ charge exchange file.
>>> import adas as adas >>> file='/home/adas/adas/adf01/qcx#h0/qcx#h0_old#c6.dat' >>> fulldata=adas.xxdata_01(file) >>> my_comments=['C Testing write_adf01', 'C By me, today'] >>> my_file='/tmp/c6.pass' >>> adas.write_adf01(file=my_file, fulldata=fulldata, ... comments=my_comments)
In the new file the scientific format is E rather than D, eg 4.71E-18 rather than 4.71D-18.