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uw-cmg / StructOpt_modular

A flexible and modular Structure Optimization suite for combining experimental data with energy simulations to create atomic structures.
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Make the .fitness functions automatically take their individual #54

Open jjmaldonis opened 7 years ago

jjmaldonis commented 7 years ago

I.e. there should be a partial in here somewhere:

individual.fitnesses.LAMMPS.fitness(individual)

because the .fitness already knows what individual it's being called on.