This pairs with https://github.com/psi4/psi4/pull/2633. It doesn't affect QCEngine's general purpose, so I'll plan to mint a v0.24.1 with this when the Psi4 use is finalized.
Adds ref values for df ccsd, ccsd(t), a-ccsd(t), for orbital-optimized mp2, mp2.5, mp3, ccd, ccd(t), a-ccd(t), and for remp2 and oremp2. Existing reference values computed with Psi4's dfocc and occ modules have been updated now that it can converge tighter.
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2 years ago
Description
This pairs with https://github.com/psi4/psi4/pull/2633. It doesn't affect QCEngine's general purpose, so I'll plan to mint a v0.24.1 with this when the Psi4 use is finalized.
Adds ref values for df ccsd, ccsd(t), a-ccsd(t), for orbital-optimized mp2, mp2.5, mp3, ccd, ccd(t), a-ccd(t), and for remp2 and oremp2. Existing reference values computed with Psi4's dfocc and occ modules have been updated now that it can converge tighter.
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