Add complex alkylation test #20
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OK, sorry for the unsolicited PRs, but I there were a couple of things that unsettled me in the tests, and I felt that such an optimiser should really have a harder test.
I've been doing my own stuff in the background, and have benefitted from reading this repository, so I thought I'd give something back. For reference, I originally was concerned because my VMCON could not solve this problem, so I checked it with this one, and found that it also couldn't. But then I tried different QSP solvers, and they do work.
EDIT: The gradient tests and the scipy stuff can be removed, I've just left them in to facilitate your review.