No access to emcee sampler arguements? about refnx HOT 5 OPEN

What options did you want to set? You can supply options to the sampler when you set up CurveFitter

from refnx.

I am trying to set the skip_initial_state_check = True argument in the EnsembleSampler.sample() method I don't see where I can put this when setting up CurveFitter, or when calling CurveFitter.sample(). All the arguments of the EnsemberSampler.sample() seem hidden when they are accessed though CurveFitter.

Let me know if I am missing something

from refnx.

I don't think you are missing anything. What does that check do?

I just looked at your account page - you seem to be doing a lot of XRR, including RSOXRR. You might be interested in ReflectModelTL which allows calculation of reflectivity for wavelength dispersive SLD profiles.
This model uses theta/wavelength to calculate reflectivity. For each wavelength value the Structure is asked to return its slab representation. Some Scatterers, e.g. MaterialSLD, have wavelength dependent SLDs, which will modulate the SLD profile for that particular wavelength.

from refnx.

Thanks for the suggestion, I will take a look. I use a wrapper library that allows for wavelength dependent tensor SLD's .

When fitting using refnx, I find that there sometimes the following exception logic is thrown.

if (not skip_initial_state_check) and (
            not walkers_independent(state.coords)
        ):
            raise ValueError(
                "Initial state has a large condition number. "
                "Make sure that your walkers are linearly independent for the "
                "best performance"
            )

I can usually get around this by choosing different priors/initialization state, but sometimes it is unavoidable. By passing in skip_initial_state_check = True, I don't have to care about this initial state check throwing an error.

from refnx.

MaterialSLD uses the periodictable package to calculate slds. I think it's pretty good for X-ray values at different energies. if you were to write something like MaterialSLD, i.e. inheriting Scatterer, then you can have your own x-ray wavelength dispersion curves.

from refnx.