qiskit.chemistry.drivers.HDF5Driver¶
-
class
HDF5Driver(hdf5_input='molecule.hdf5')[source]¶ Qiskit chemistry driver reading an HDF5 file.
The HDF5 file is as saved from a
QMoleculeinstance.- Parameters
hdf5_input (
str) – Path to HDF5 file
Methods
__init__([hdf5_input])- type hdf5_input
str
run()Runs driver to produce a QMolecule output.
Attributes
return basis
return Hartree-Fock method
return molecule
True for derived classes that support Molecule.
Returns work path.
-
property
basis¶ return basis
- Return type
str
-
property
hf_method¶ return Hartree-Fock method
- Return type
str
-
property
molecule¶ return molecule
- Return type
Optional[Molecule]
-
run()[source]¶ Runs driver to produce a QMolecule output.
- Return type
QMolecule- Returns
A QMolecule containing the molecular data.
- Raises
LookupError – file not found.
-
property
supports_molecule¶ True for derived classes that support Molecule.
- Return type
bool- Returns
True if Molecule is supported.
-
property
work_path¶ Returns work path.