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Investigate test aci-dsrg-mrpt2-5 #310

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fevangelista opened this issue Jan 17, 2023 · 0 comments
Open

Investigate test aci-dsrg-mrpt2-5 #310

fevangelista opened this issue Jan 17, 2023 · 0 comments

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@fevangelista
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Two of the three options for dial_algorithm (sparse/full) give the same answer for test aci-dsrg-mrpt2-5. However, the third option diag_algorithm = dynamic yields different energies.
I don't know the origin of the problem. It could be either a bug in the dynamic algorithm or issues with updating the integrals after forming the DSRG Hbar.
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