stormnick / formato3

Build model atoms in the MULTI input format

formato3

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.

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Build model atom by ionization stage

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 /!\

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Build model atom by combining two ionization stages

mergato.py atom1 atom2

Example:

mergato.py atom.Co1 atom.Co2

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Make a super-atom by combining levels and lines

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

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Control plots of the model atoms

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:

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Please cite this webpage and Merle et al. (2011) if you find this tool useful.

Bugs can be reported to [email protected] .