bond-valence calculations as a check for generated crystals

[sgbaird]

From @sp8rks after presenting at GRC on some of @michaeldalverson's results:

Multiple people suggested doing bond valence calculations as a check for generated crystals. This can also lead to a calculation of global stability index. Anton can help us with these calculations.

[kjappelbaum]

This GlobalStabilityIndex is implemented in matminer.

[sgbaird]

Awesome! matminer.featurizers.structure.bonding.GlobalInstabilityIndex

The default is to use IUCr 2016 bond valence parameters for computing bond valence sums. If the structure has disordered site occupancies or non-integer valences on sites, pymatgen’s bond valence sum method can be used instead.

r_cut: Float, how far to search for neighbors when computing bond valences
disordered_pymatgen: Boolean, whether to fall back on pymatgen’s bond

Citation: https://doi.org/10.1016/0022-4596(92)90094-C