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WIP: Various tweaks and enhancements

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Closed Martin Reinecke requested to merge nifty_bfgs into master Apr 04, 2018
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This branch contains the SeparationEnergy in a form I'd like to include in Nifty at some point.

Sorry, I couldn't adjust the GUI app, since I don't get kivy to work on my laptop ...

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Source branch: nifty_bfgs