Extend VQE to include orbital optimization

qc2nl / qc2

Facilitate the orchestration of quantum chemistry applications on quantum computers

https://qc2.readthedocs.io/

Apache License 2.0

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Extend VQE to include orbital optimization #59

Closed Cmurilochem closed 2 months ago

Cmurilochem commented 5 months ago

This PR closes #24 and closes #55. It is actually a MR from a feature branch developed in a private qc2 fork.

@NicoRenaud, I have squashed all commits into a single one, as you have already approved it in the forked repo. Please, could you also approve the MR here ?

Cmurilochem commented 4 months ago

@NicoRenaud. Please, could you have a look at this small PR ? Thanks!