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Drivers (qiskit_nature.second_q.drivers)

Driver Base Class

BaseDriver

Base class for Qiskit Nature drivers.

VibrationalStructureDriver

Base class for Qiskit Nature's vibrational structure drivers.

ElectronicStructureDriver

Base class for Qiskit Nature's electronic structure drivers.

Driver Common

MethodType

MethodType Enum

InitialGuess

Initial Guess Enum

Drivers

The drivers in the chemistry module obtain their information from classical ab-initio programs or libraries. Several drivers, interfacing to common programs and libraries, are available. To use the driver its dependent program/library must be installed. See the relevant installation instructions below for your program/library that you intend to use.

Electronic Structure Drivers

GaussianDriver

Qiskit Nature driver using the Gaussian™ 16 program.

Psi4Driver

Qiskit Nature driver using the Psi4 program.

PySCFDriver

A Second-Quantization driver for Qiskit Nature using the PySCF library.

Vibrational Structure Drivers

GaussianForcesDriver

Gaussian™ 16 forces driver.

General Driver

The GaussianLogDriver allows an arbitrary Gaussian Job Control File to be run and return a GaussianLogResult containing the log as well as ready access certain data of interest that is parsed from the log.

GaussianLogDriver

Gaussian™ 16 log driver.

GaussianLogResult

Result for Gaussian™ 16 log driver.