OxIonics / ionics_fits

Small python fitting library with an emphasis on Atomic Molecular and Optical Physics
Apache License 2.0
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PeriodicModelParameter: don't support bounds (clip post fitting instead) #176

Closed hartytp closed 3 months ago

hartytp commented 3 months ago

Having bounds for periodic parameters caused occasional fit failures. This should be more robust.

Particularly when combined with MLEFitter scipy.minimize would tend to try to take a point at the upper / lower bounds and could then get stuck trying to move away from the heuristic value (even if that was extremely close to the optimum). Removing these bounds and just clipping after the fit is conceptually cleaner and helps the optimizer.