qiskit.chemistry.drivers.FCIDumpDriver.dump

static FCIDumpDriver.dump(q_mol, outpath, orbsym=None, isym=1)

Convenience method to produce an FCIDump output file.

Parameters

• outpath (str) – Path to the output file.

• q_mol (QMolecule) – QMolecule data to be dumped. It is assumed that the nuclear_repulsion_energy in this QMolecule instance contains the inactive core energy.

• orbsym (Optional[List[str]]) – A list of spatial symmetries of the orbitals.

• isym (int) – The spatial symmetry of the wave function.

Return type

None