ElectronicStructureDriver#

class ElectronicStructureDriver[source]#

Bases: BaseDriver

Base class for Qiskit Nature's electronic structure drivers.

Methods

abstract run()[source]#

Returns an ElectronicStructureProblem output as produced by the driver.

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

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

প্যারামিটার:

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).

রিটার্নস:

An ElectronicStructureProblem.

রিটার্ন টাইপ:

ElectronicStructureProblem

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

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

প্যারামিটার:: include_dipole (bool) -- whether or not to include the custom dipole integrals in the QCSchema.
রিটার্নস:: A QCSchema storing all extracted system data computed by the driver.
রিটার্ন টাইপ:: QCSchema