Fix voigt DomainError during optimization - #5
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During optimization, σ and γ can go negative. The Thompson et al. approximation uses odd powers (fG^5, fL^5) that preserve sign, making f5 negative. f5^(1/5) then raises DomainError for negative reals.
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Summary
Use
abson σ and γ width parameters inside the voigt function to preventDomainErrorwhen the optimizer explores negative parameter space.Problem
The Thompson et al. (1987) FWHM approximation uses odd powers (
fG^5,fL^5) that preserve the sign of the input. When σ or γ go negative during optimization,f5becomes negative, andf5^(1/5)raises aDomainErrorbecause Julia can't raise negative reals to fractional powers.Other models (gaussian, lorentzian) don't have this issue because they square their width parameters (
σ^2,Γ^2), making them always positive.Test plan