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Example with atomic charges?

Open ghutchis opened this issue 6 years ago • 1 comments

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!

ghutchis avatar Aug 19 '19 15:08 ghutchis

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

peverati avatar Oct 30 '20 18:10 peverati