theochem / theochem/grid

"Promolecule tricks"

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#16 3 comments 0 reactions 1 assignee View on GitHub

@PaulWAyers is already working on this.

Since May 4, 2023.

help wanted
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Python
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Description

Using the "promolecule tricks" that Ali & Derrick developed for regional and whole-molecule integration of various functions.

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