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OpenMC settings.xml creation

Kiesling, Kalin Rose requested to merge run_settings into shift_openmc_integration

This is the first of two incoming MRs to wrap up the last steps to get OpenMC running. This MR is purely the creation of the settings.xml file. After this is merged, I will open a new MR that actually runs the code (eg calls openmc.run()), but all parameters needed for openmc.run() are parsed out of the input in this step.

Minor change, but I also reworked the main level workflow from a separate create_source to just set_settings - there was enough overlap and it all ultimately goes into the settings file.

Question for @pshriwise - if someone wants to run a volume calculation, is there additional information required in OpenMC (such as calculate_volumes)? Or is it as simple as just setting the mode to volume?

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