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update gCP levels and extend D4 defaults #393
update gCP levels and extend D4 defaults #393
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B97-3c should be supported with the original version of gcp already.
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Holger was pretty sure otherwise. See "Dev notes" at psi4/psi4#2842 (comment) . v2.0.2 at https://anaconda.org/psi4/gcp/files is the relevant "classic" one that I'm trying to wean psi4 folks off of. mctc-gcp is preferred as of psi4 v1.8.
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Ah, inclusion of the b97-3c explained at more psi4/psi4#1898 (comment) . I'm going to leave the code here as-is/exclusionary since "classic" is usually the tarball-from-Grimme-website build variously labeled 2.2 or 2.0.2.