Greg Landrum 4e877080e8 Add custom 3D Descriptors (#1867) ...

* 3D customs Descriptors

* some cleanups

* adding tests for 3D customs

* add WHIM out files

* fix div by zeros and add testcases

* add back a local change

* run clang-format

* switch to fabs

2018-05-14 15:07:55 +02:00

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