What info would be useful? LibraryCharge assignments? CIMH initial charges and chargeincrements (so, more than just "final charge" values? Entire NN structure? Return a modified Topology or create a new ParameterizationRecord object? What to do about "duplication" of info? Molecules have charges, and also systems. Should we deduplicate? Who should keep final charges? Should start by defining what it should do/API needs -- Matt's "row labels", Simon's needs? particle index --> ParameterType? (LibraryCharges is one-to-many
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