• David Williams-Young's avatar
    Initial Commit of ChronusQ Rewrite. · dc093f4f
    David Williams-Young authored
    Significant cleanup of Molecule and CQInput. Restructuring of
    BasisSet to include ReferenceBasisSet to handling the parsing.
    Can currently parse an input file and construct Molecule and BasisSet
    objects with proper error handelling by CErr. Automatic Libint2 compilation
    has been made more robust
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