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add comput_u function #127

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merged 3 commits into from
Jul 3, 2024
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Fix error with compute_U function

@RichRick1
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I'm gonna merge this for now. @giovanni-br we need to fix failing tests

@RichRick1 RichRick1 merged commit bd293f4 into theochem:PariserParr Jul 3, 2024
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