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Example with atomic charges? #2

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ghutchis opened this issue Aug 19, 2019 · 1 comment

ghutchis commented Aug 19, 2019

Is there an example or a method to get the atomic charges? It's not obvious how to get the electrostatic components from the model.

Thanks!

peverati commented Oct 30, 2020

I second this request. Not clear how to specify a charge in the molecule...

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