Fixed minor bug in Jacobi solver with DIIS #246
Merged
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Description
There was a minor bug in the Jacobi solver when DIIS was enabled. The reported energies were based on the amplitudes before the latest DIIS extrapolation. This created a mismatch between the energies reported by QForte and those computed as the expectation value of the Hamiltonian.
The bug was fixed by computing and reporting energies based on the extrapolated amplitudes.
The assertion value of only one test had to be slightly adjusted.
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Checklist