Ryan Richard

icon indicating a website link https://rmrresearch.github.io/ icon indicating an email [email protected]

icon company Ames National Laboratory / Iowa State University icon location United States icon location C++ coder targeting electronic structure theory packages. @NWChemEx-Project

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NWChem Questions

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Hi all, I'm trying to use a custom basis set with NWChem. Am I understanding https://github.com/MolSSI/QCEngine/blob/0d70bdfdabf0d5fcc8387446a60295ba26fece4c/qcengine/programs/nwchem/runner.py#L193 right in that this is NOT supported? If so, would you be interested in...