1 Commits

Author SHA1 Message Date
Greg Landrum
fb2c546948 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
2017-01-22 05:49:52 +01:00