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qiskit.chemistry.drivers.BaseDriver

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

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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.

__init__

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 moleculeOptional[Molecule]

Attributes

basisreturn basis
hf_methodreturn Hartree-Fock method
moleculereturn molecule
supports_moleculeTrue for derived classes that support Molecule.

basis

return basis

Return type

str

hf_method

return Hartree-Fock method

Return type

str

molecule

return molecule

Return type

Optional[Molecule]

supports_molecule

True for derived classes that support Molecule.

Return type

bool

Returns

True if Molecule is supported.

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