macro_xs: include more xsections for the simple ions in macro-atom mode + 3 other fixes

sirocco-rt / sirocco

This is the repository for Sirocco, the radiative transfer code used to winds in AGN and other syatems

GNU General Public License v3.0

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macro_xs: include more xsections for the simple ions in macro-atom mode + 3 other fixes #1091

Closed jhmatthews closed 2 months ago

jhmatthews commented 2 months ago

This PR makes four changes:

includes more simple-atom cross-sections when calculating the macro-atom b-f opacity and heating. This results in more accurate b-f heating rates when metal b-f heating is important
minor typo fix in py_plot_util
only run setup_py_dir when you are rank 0
Allow the code to use ion fractions not estimated from full macro-atom estimators.

This should not be merged yet, I'd like to test the first change a bit more and also allow the user to access the bottom mode properly.

jhmatthews commented 2 months ago

This can be merged now. This fix produces much better heating and cooling matches with Cloudy in the intermediate U regime: hc_macro_xs.pdf

Compared to the old behaviour here: hc_dev_macro_problems.pdf

Regression tests produce relatively small changes (only in the macro-atom runs), e.g.: agn_macro

Please note this increases runtime in some ionization cycles, which is fairly unavoidable. In agn_macro regression test, the photon transport takes 16 seconds compared to 12 before.

jhmatthews commented 2 months ago

Final note: this includes a mode for not using macro_pops for ionization fractions. I still need to add a way for the user to actually use this.