Adding support for the QCSchema introduced the new notion of "formats" in form of the qiskit_nature.second_q.formats module. The existing support for the FCIDump format (currently implemented as a driver) would fit into that module a lot more naturally than under its current location.
This issue suggests, that the implementation be moved to become something along the lines of the following:
# qiskit_nature.second_q.formats.fcidump
@dataclass
class FCIDump:
hij
hij_b
hijkl
hijkl_ba
hijkl_bb
multiplicity
num_electrons
num_orbitals
@classmethod
def from_file(cls, fcidump: str | Path) -> FCIDump:
"""Constructs an FCIDump object from a file."""
...
def to_file(self) -> None:
"""Dumps an FCIDump object to a file."""
...
What is the expected enhancement?
Adding support for the
QCSchema
introduced the new notion of "formats" in form of theqiskit_nature.second_q.formats
module. The existing support for the FCIDump format (currently implemented as a driver) would fit into that module a lot more naturally than under its current location. This issue suggests, that the implementation be moved to become something along the lines of the following: