Refactor BaseProblem.second_q_ops()
#772
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This removes the usage of ListOrDict wherever possible. The QubitConverter class is the last place this is needed, because the UCC and UVCC ansatze pass their excitation operators for conversion as a list. That is fine for now, but may be improved when tackling qiskit-community#771
The algorithms in Terra always take a tuple of the main operator and some auxiliary operators. This commit changes the `BaseProblem` interface to already return the generated operators in the same format. This simplifies the handling of the main operator, a scenario that occurs very often and required manual intervention thus far.
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qiskit_nature/second_q/algorithms/excited_states_solvers/excited_states_eigensolver.py
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* refactor: enable dict_aux_operators by default * refactor: deprecate qiskit_nature.ListOrDict This removes the usage of ListOrDict wherever possible. The QubitConverter class is the last place this is needed, because the UCC and UVCC ansatze pass their excitation operators for conversion as a list. That is fine for now, but may be improved when tackling qiskit-community#771 * refactor: match return type of `BaseProblem.second_q_ops()` to Terra The algorithms in Terra always take a tuple of the main operator and some auxiliary operators. This commit changes the `BaseProblem` interface to already return the generated operators in the same format. This simplifies the handling of the main operator, a scenario that occurs very often and required manual intervention thus far.
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Summary
This PR is another self-container step part of #701.
It refactors the
BaseProblem.second_q_ops()method to produce a tuple, with the first element being the main operator, and the second element a dictionary of auxiliary operators. This matches the input expected by Terra algorithms and avoids the common need of extracting the main operator from one larger dictionary of operators.Details and comments
This PR also enables
settings.dict_aux_operatorsby default and deprecatesListOrDictsince Qiskit Nature will always be producing dictionaries of auxiliary operators in the new stack/workflow.