Qiskit / qiskit-fermions / 24351259157

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Operator groups (#60)

* [wip] expand operator structs with optional groups

See #7 for more details.

* [wip] feat: electronic structure term grouping

* fix: some minor updates to the operator grouping

* [wip] expose grouping to python API

Note, that this does not fully work yet, but it is sufficient for
showcasing how the feature is intended to be used later on.

* fix: check the number of unique group indices correctly

Obviously, the length of the `FermionOperator.groups` array is not
indicating the number of unique group indices... I guess it was a little
bit too late yesterday...

* fix: actually pass operator by reference

The reason that the `op.inner.groups` were not visible on the Python
level, was that we did not correctly pass the operator via reference and
instead were working with a clone.

* test: improve testing of the operator grouping

* test: also test the GroupingError raising

* feat: support physicist's integral order in grouping logic

* test: *Operator.split_out_groups logic

* feat: pyext: *Operator.split_out_groups

* docs: groups and split_out_groups

* docs: module-level explanations on term grouping

* fix: move matplotlib dependency from docs to doctest

* feat: expose groups to C API

* feat: expose electronic-structure term grouping to C API

* feat: cext: qf_*_op_num_groups

* feat: cext: expose .split_out_groups operator functions

* docs: cext operator grouping

* fix: rustworkx visualization import

* fix: free data structures at end of C tests

* fix: avoid unnecessary clone

* fix: typo in docs reference

615 of 621 new or added lines in 12 files covered. (99.03%)

4013 of 4137 relevant lines covered (97.0%)

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