add XRayIonicGasMix#264
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arlauwer wants to merge 38 commits intoSKIRT:masterfrom
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no precalculation of sigma yet
not tested for correctness
Family still needs temperature in mix()
… called before setup
move some resources in setup
fix H Lya
fix old scattering order
compiles brancing incoherent still needs fix!
allow fully ionised ions update to new secondary emission system
fix brancing shift still unclear
always polarized
small bug fixes
use ints made Atoms.cpp
remove bound-electron start main documentation
rename AtomUtils revert LyaNeutralHydrogenGasMix phase function clean up LyUtils seperate dipole calculations
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Description
An ionized variant of the
XRayAtomicGasMixwas added. This class is very similar and includes the following:Motivation
Not only does this extend the data sets of the
XRayAtomicGasMixto ionized gas, it also introduces some of the Lyman-series lines. This opens up many new possibilities to better model the X-ray reprocessing in ionized environments.Tests
A few unit tests were written which have been manually verified. Additionally, the physics has been benchmarked in (Sameshima et al. 2026, submitted).
Guidelines
The current state of the PR does not fully conform to the SKIRT guidelines, as it is still somewhat a work in progress. The code is well documented and ready for review, but certain implementations may be changed in the future. More on this in the context section.
Resources
This class comes with its own resources, these can be placed in the
resources/SKIRT9_Resources_AtomsMolecules/directory.Context
A few notes on the current implementation that might require future work:
solution is not ideal within the SKIRT conventions so a better solution will have to be found.
XRayAtomicGasMixincluded line profiles for fluorescent emission, whereas the current data set does not provide such line-shape information. Moreover, the fluorescent transitions available in the present data set do not fully overlap with those implemented inXRayAtomicGasMix. Future work could aim to combine the strengths of both approaches, though this has not yet been explored.XRayIonicGasMixFamily, but this has been postponed to ensure the release of this class first. Currently theXRayIonicGasMixassumes spatially constant temperature and abundances, although multiple media can be used to create some spatial dependence.