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Converter for MPS DMRG wavefunctions #4523
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[sc-43870] |
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Lots of small comments, might have to copy some changes from the other PR to make sure they match in the _sitevec_to_fock function
Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## master #4523 +/- ##
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Coverage 99.62% 99.62%
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Files 375 375
Lines 33443 33472 +29
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+ Hits 33318 33347 +29
Misses 125 125
☔ View full report in Codecov by Sentry. |
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Looks good, I think the efficiency of some implementations could be improved but I doubt it would make a significant difference to performance now so happy to approve 👍🏼
Context:
Continuing to expand the capabilities of the
qml.qchem.import_state
to allow more diverse wavefunction ansatze to be used to initialize quantum algorithmsDescription of the Change:
The function can now import MPS DMRG wavefunctions generated by the Block2 code, in their Slater determinant reconstruction.
Benefits:
Possible Drawbacks:
Related GitHub Issues: