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proteneer / timemachine

Differentiate all the things!
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Fix nightly tests. #1419

Closed proteneer closed 2 weeks ago

proteneer commented 2 weeks ago

Fixes zero length array shapes and types in one of the end-state symmetry nightly tests. Update water sampling example files since buckyball energies were affected by the improper torsion change.

proteneer commented 2 weeks ago

Going to merge this as-is - currently over whelmed with zero sized lists in other areas of the code. I'll come back to this later when I have more bandwidth since comments indicate non-blocking.