qiskit.chemistry.drivers.HDF5Driver
class HDF5Driver(hdf5_input='molecule.hdf5')
Qiskit chemistry driver reading an HDF5 file.
The HDF5 file is as saved from a QMolecule instance.
Parameters
hdf5_input (str) – Path to HDF5 file
__init__
__init__(hdf5_input='molecule.hdf5')
Parameters
hdf5_input (str) – Path to HDF5 file
Methods
__init__([hdf5_input]) | type hdf5_inputstr |
run() | Runs driver to produce a QMolecule output. |
Attributes
basis | return basis |
hf_method | return Hartree-Fock method |
molecule | return molecule |
supports_molecule | True for derived classes that support Molecule. |
work_path | Returns work path. |
basis
return basis
Return type
str
hf_method
return Hartree-Fock method
Return type
str
molecule
return molecule
Return type
Optional[Molecule]
run
run()
Runs driver to produce a QMolecule output.
Return type
QMolecule
Returns
A QMolecule containing the molecular data.
Raises
LookupError – file not found.
supports_molecule
True for derived classes that support Molecule.
Return type
bool
Returns
True if Molecule is supported.
work_path
Returns work path.
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