Restart capabilities for LNO-CCSDT and beyond

  • bkwx97
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1 day 7 hours ago #1618 by bkwx97
Dear developers

I saw your preprint for LNO based higher order coupled cluster. I am testing it right now, and I wanted to know if the robust restart capabilities of LNO-CCSD(T) and DF-CCSD(T) are available for LNO-CCSDT and LNO-CCSDT(Q)? I have a triple zeta quality calculation running on a molecule with 10 atoms, no symmetry, and no hydrogens. While the time per iteration isn't terribly long, it does have 30 MOs it needs to do all of these iterations for, and I suspect I might run out of wall time.

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