Add Firework for Multiwfn/QTAIM analysis of wavefunctions from Q-Chem#791
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espottesmith wants to merge 20 commits intohackingmaterials:mainfrom
Open
Add Firework for Multiwfn/QTAIM analysis of wavefunctions from Q-Chem#791espottesmith wants to merge 20 commits intohackingmaterials:mainfrom
espottesmith wants to merge 20 commits intohackingmaterials:mainfrom
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Summary
Pretty small addition, but a necessary one for an upcoming effort to incorporate QTAIM electronic structure information into the MPcules collection on MP (with @santi921).