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Improve charge provenance logging with copies of molecules #1483

@mattwthompson

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@mattwthompson

Since - and I'm only about 90% sure this is true (@j-wags?) - chemically identical molecules will always get the same partial charges applied from the same partial charge assignment method, it's a little redundant to log the per-atom charge assignment provenance for the 2nd and greater copies of a given molecule.

I'm not yet sure if it's worth logging that copies of a molecule got the same charges as the original. The upside is that it's more useful to log this provenance than have the user figure out, for a given molecule, what the corresponding original molecule is. The downside is that it would be extremely redundant for solvent molecules, i.e. 5,000 lines of logging that water molecules got OPC3 charges.

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