Fixes the tutorial for the excited state solvers. In doing so, the
EvaluationRuleis properly exposed for importing and documenting accordingly.
Fixes the behavior of the
FreezeCoreTransformerwhen a charge is present on the molecule.
Fixes the behavior of
SpinOp.to_matrix()for operators acting on more than a single spin.
ActiveSpaceTransformerwould sometimes set the wrong number of active particles because of a flawed integer rounding. This has now been fixed.
Fixes a regression in the performance of the
Compatibility fix to support optional sparse install under Python 3.11.
Qiskit Nature 0.6 focuses on refactoring of the
mappers module. To that extent, the
QubitConverter class has been deprecated in favor of using the various subclasses of
QubitMapper directly. As a short example, while you were doing something similar to this until now:
solver = GroundStateEigensolver( QubitConverter(ParityMapper(), two_qubit_reduction=True), VQE(...), ) result = solver.solve(problem)
you now simply do the following instead:
solver = GroundStateEigensolver( ParityMapper(num_particles=problem.num_particles), VQE(...), ) result = solver.solve(problem)