Add callback solver example using dyson for EWDMET #164
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Codecov ReportAttention: Patch coverage is
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## master #164 +/- ##
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Coverage 0.00% 0.00%
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Files 156 156
Lines 20795 20797 +2
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- Misses 20795 20797 +2 ☔ View full report in Codecov by Sentry. |
ghb24
reviewed
Apr 12, 2024
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| # User defined FCI solver - takes pyscf mf as input and returns RDMs | ||
| # The mf argment contains the hamiltonain in the orthonormal cluster basis | ||
| # Pyscf or other solvers may be used to solve the cluster problem and may return RDMs, CIID amplitudes or CCSD amplitudes |
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CIID -> CISD
Also, can you add "or (in this case) the Greens function moments of the cluster", to make it clear what is going on in this example.
| @@ -8,6 +8,8 @@ | |||
| from vayesta.misc.molecules import ring | |||
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| # User defined FCI solver - takes pyscf mf as input and returns RDMs | |||
| # The mf argment contains the hamiltonain in the orthonormal cluster basis | |||
| # Pyscf or other solvers may be used to solve the cluster problem and may return RDMs, CIID amplitudes or CCSD amplitudes | |||
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Fixes issue when providing only the DMs from a callback solver in an SCMF calculation.
Adds example showing how to use dyson to return spectral moments from a callback solver.