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Qiskit Nature 0.2.2

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@manoelmarques manoelmarques released this 13 Oct 20:45
· 1 commit to stable/0.2 since this release
50b16fa

Changelog

Added

  • Exposes the callback option of the VQE algorithm in the VQE factory classes. It also adds a general kwargs dictionary which allows passing any additional arguments to the VQE.

Fixed

  • This also ensures that the getter/setter methods of the VQE factories actually affect the constructed VQE instance.
  • Fixed a typo in the ElectronicEnergy._orbital_energies variable name and ensures the correct behavior of the orbital_energies property getter.
  • The ElectronicStructureResult did not initialize the _computed_dipole_moment variable causing critical errors when trying to print a result from an algorithm which does not compute these observables. Proper initialization fixes this issue. Printing the result would also fail when complex numbers were stored. This has also been remedied.
  • Fixed an issue where the existing Mapper was incorrectly mapping the creation operator + and the annihilation operator -.
  • Allow input operator to BravyiKitaevSuperFastMapper to be FermionicOp in sparse storage format. Previously, all input was interpreted as dense storage format, which raised an error when parsing sparse format as dense failed.