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Update HarmonicPlusLennardJones calculator in GA molecular crystal tutorial

Maxime Van den Bossche requested to merge mvdb/ase:ga_xtal_tutorial_update into master

An issue with the GA molecular crystal tutorial was recently mentioned in the mailing list.

As promised, here are the required updates to the custom HarmonicPlusLennardJones calculator in that tutorial.

Is it correct that the tutorial scripts are a bit fragile, in the sense that they typically don't get checked automatically, unlike the ones in ase.test?

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