Version 1.0.0: Used in paper

This is the version of the code used in our preprint that we've submitted for publication, citation below. Additional changes may be forthcoming at a later date as more folks use this elsewhere, but this is the version we're using at this point.

Lim, Victoria T.; Hahn, David F.; Tresadern, Gary; Bayly, Christopher I.; Mobley, David (2020): Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields. ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.12551867.v2