Greg Landrum b9e8ab4a53 Fix/github1262 (#1265) ...

* fix for calculation of prinicipal moments of inertia

* fix a typo
update expected values

* PMI and NPR tests working

* cleanup some of the other descriptors and tests

* Test against Moments.py descriptors

* add new tests from Brian

* remove some warnings

2017-02-05 08:35:34 +01:00

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