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Currently, CATNIP only supports Gaussian, there is no reason why this has to be the case, I could use some help finding out how to output the molecular orbital information from other QC packages.
The text was updated successfully, but these errors were encountered:
Currently, CATNIP only supports Gaussian, there is no reason why this has to be the case, I could use some help finding out how to output the molecular orbital information from other QC packages.
The text was updated successfully, but these errors were encountered: