Cannot reproduce results of 'Creating a TARDIS atomic data file' about carsus

[nvieira-mcgill]

@epassaro Excellent, I'm happy to hear this!

[epassaro]

Hi @nvieira-mcgill! Thank you for your detailed report.

Currently NIST doesn't have ground state configurations for every ions (starting from atomic number 59). For example, look for Neodymium (z=60) at:

https://physics.nist.gov/PhysRefData/ASD/ionEnergy.html.

From Nd VI to XI have missing configurations (we need to parse total angular momentum J from that column).

This situation makes impossible (for now) to build atomic files containing ions with Z > 58.

Maybe with discuss more about this in the next days.

[nvieira-mcgill]

Ah, that makes sense, thank you very much!

I was able to get around the issue by instead doing the following:

1. Working within an environment specifically made for carsus using the environment definition file carsus_env3.yml
2. Explicitly passing a string of ions for which the Kurucz line list contains lines, i.e., ions='As 0; Se 0; Rb 0; Sr 0; Sr 1; U 0; U 1' (not showing all elements for brevity)

But, of course, I can't carry out the simulation with TARDIS because the atomic data is incomplete, as you mentioned. I will look into obtaining/producing more complete atomic data elsewhere.

However, I tried my first code with H-Zn, and I had the same error when running in the environment produced by tardis_env3.yml. The only way to get the code to work was by running the code in the environment produced by carsus_env3.yml. I think it might be more logical for the environments produced by each of these files to be consistent. Otherwise, it seems like one has to make their atomic data file in one conda environment and then run their TARDIS simulation in another environment.

In any case, thank you very much for your help. I am happy to discuss this any time!

[epassaro]

Yes, Carsus should be installed in a separated environment. The new Carsus documentation is ready and should be available tomorrow, it's way more clear.

[epassaro]

Hi @nvieira-mcgill we patched Carsus to make possible to work with heavy elements. The documentation is still not updated, some things have changed (and will continue changing in the next weeks).