qiskit.chemistry.drivers.BaseDriver

class BaseDriver(molecule=None, basis='sto3g', hf_method='rhf', supports_molecule=False)

Base class for Qiskit’s chemistry drivers.

Parameters

• molecule (Optional[Molecule]) – molecule

• basis (str) – basis set

• hf_method (str) – Hartree-Fock Method type

• supports_molecule (bool) – Indicates if driver supports molecule

Raises

QiskitChemistryError – Molecule passed but driver doesn’t support it.

abstract __init__(molecule=None, basis='sto3g', hf_method='rhf', supports_molecule=False)

Parameters

• molecule (Optional[Molecule]) – molecule

• basis (str) – basis set

• hf_method (str) – Hartree-Fock Method type

• supports_molecule (bool) – Indicates if driver supports molecule

Raises

QiskitChemistryError – Molecule passed but driver doesn’t support it.

Methods

__init__([molecule, basis, hf_method, …])

type molecule Optional[Molecule]

Attributes

basis	return basis
hf_method	return Hartree-Fock method
molecule	return molecule
supports_molecule	True for derived classes that support Molecule.

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]

property supports_molecule

True for derived classes that support Molecule.

Return type

bool

Returns

True if Molecule is supported.