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The newly added parallelized brute routine (obtained from https://gist.github.com/radarsat1/1551648) does not return the same output as serial brute. This routine should be used with caution until this issue is resolved.

A penalty to the residual is currently hard-coded in the Optimization class if the force field is of the Mie type and m is >= n see (here). These types of constraints/penalties should be handled in a force field agnostic manner. I think the best solution would be to define these constraints in the Forcefield class, so that whenever a subclass (such as Mie) is defined, the user can also define whatever constraints should go along with their force field. I'm not quite sure yet how the optimizer will read these constraints and apply them...