Closed Gabrielgerez closed 1 year ago
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In the notebook is an example for a single hydrogen atom, and a "water" molecule consisting of only point charges. There is a bug in the plotting of the simplified water molecule reaction potential. Can be removed without destroying the example. Also, I'm quite sure that this can be readily expanded to a more difficult example, as the reaction potential microiterations do not care for what type of density is fed to them.