Tool to build model atoms in the MULTI input format, required in non-LTE calculations of chemical abundances.
There are 3 main scripts: formato.py, mergato.py and plotato.py, and an additional fortran code to make superatom in msa/v5/make_superatom_v5.f (from B. Plez).
The model atoms in the directory atoms/Co
are computed using the examples provided below and using atomic data from the directories ad/vald/Co
.
Many parameters are available at the begining of the formato.py
file.
If a new model atom want to be build, it requires to complete dictionaries (ion_el
, ion_g
, ion_cfg
, ion_term
, mass
and abund
) at the begining of the same file.
formato.py input_filename [output_filename]
Examples:
formato.py ad/vald/Co/I/ThibaultMerle.047560 atom.Co1
formato.py ad/vald/Co/II/ThibaultMerle.047578 atom.Co2
/!\ The number of lines (NLIN parameter) may be updated at the beginning of the model atom /!\
mergato.py atom1 atom2
Example:
mergato.py atom.Co1 atom.Co2
This relies on the fortran code from B. Plez, slightly modified msa/v5/make_superatom_v5.f
First compile it:
gfortran -o msa make_superatom_v5.f
It can work with one ionization degree or two at a time.
Example:
$ msa
Full atom input file (MULTI format):
atom.Co12
Super atom output file:
superatom.Co12
Do not merge levels below this energy (cm-1):
10000
Minimum energy range for super-levels (cm-1):
1000
Typical temperature for the use of the superatom
This T will be used to compute partition functions
within superlevels, and to estimate gamma6
6000
It is also possible to use here documents:
msa <<EOF
> atom.Co2
> superatom.Co2
> 10000
> 1000
> 6000
> EOF
plotato.py atom1
can produce Grotrian diagrams for energy levels atom.XXY_elY.png
, radiative transitions atom.XXY_rtY.png
and photoionization atom.XXY_pxY.png
.
In addition, a histogram of the loggf can also be obtained atom.XXY_gf.png
.
Example:
plotato.py atom.Co1
Grotrian diagram with photoionisations of Co I:
Grotrian diagram with all the radiative transitions of Co I:
Histogram of the oscillator strenghts of Co I:
Please cite this webpage and Merle et al. (2011) if you find this tool useful.
Bugs can be reported to [email protected] .