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stdsuite testing remp2, oo, dfcc

Open loriab opened this issue 3 years ago • 1 comments

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.

Changelog description

Status

  • [x] Code base linted
  • [x] Ready to go

loriab avatar Jul 30 '22 02:07 loriab

Codecov Report

Merging #375 (c690762) into master (0d83304) will decrease coverage by 0.76%. The diff coverage is 11.11%.

codecov[bot] avatar Jul 30 '22 02:07 codecov[bot]