ElectronicStructureDriver#

class ElectronicStructureDriver[ソース]#

ベースクラス: BaseDriver

Base class for Qiskit Nature’s electronic structure drivers.

Methods

abstract run()[ソース]#

Returns an ElectronicStructureProblem output as produced by the driver.

abstract to_problem(*, basis=ElectronicBasis.MO, include_dipole=True)[ソース]#

Extends the to_qcschema() method and translates the QCSchema object to an ElectronicStructureProblem.

パラメータ:

basis (ElectronicBasis) – the ElectronicBasis in which to construct the problem.
include_dipole (bool) – whether or not to include an ElectronicDipoleMoment property in the generated problem (if the data is available).

戻り値:

An ElectronicStructureProblem.

戻り値の型:

ElectronicStructureProblem

abstract to_qcschema(*, include_dipole=True)[ソース]#

Extracts all available information after the driver was run into a QCSchema object.

パラメータ:: include_dipole (bool) – whether or not to include the custom dipole integrals in the QCSchema.
戻り値:: A QCSchema storing all extracted system data computed by the driver.
戻り値の型:: QCSchema