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.

매개변수

hdf5_input (str) – Path to HDF5 file

__init__(hdf5_input='molecule.hdf5')

매개변수

hdf5_input (str) – Path to HDF5 file

Methods

__init__([hdf5_input])	type hdf5_input str
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.

property basis

return basis

반환 형식

str

property hf_method

return Hartree-Fock method

반환 형식

str

property molecule

return molecule

반환 형식

Optional[Molecule]

run()

Runs driver to produce a QMolecule output.

반환 형식

QMolecule

반환값

A QMolecule containing the molecular data.

예외

LookupError – file not found.

property supports_molecule

True for derived classes that support Molecule.

반환 형식

bool

반환값

True if Molecule is supported.

property work_path

Returns work path.