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enh: added parallel-k calculations for NC/SOC

Nick R. Papior requested to merge NC-SOC-parallel-over-k into rel-4.1

This should really speed up calculations with NC/SOC since many systems are small in size and will benefit from the dense LAPACK calls rather than lots of communications.

I have added more tests to check that the implementations yield the same results.

I have also reduced memory requirements since the auxilliary arrays were never used in the size they were supplied.

Also fixed the SOC write-out of CITATIONS.bib, now it correctly writes to the slabel.bib

Fixes #33 (closed).

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