GaussianLogDriver¶
-
class
GaussianLogDriver(jcf)[source]¶ Bases:
qiskit.chemistry.drivers.base_driver.BaseDriverGaussian™ 16 log driver.
Qiskit chemistry driver using the Gaussian™ 16 program that provides the log back, via
GaussianLogResult, for access to the log and data recorded there.See http://gaussian.com/gaussian16/
This driver does not use Gaussian 16 interfacing code, as certain data such as forces properties are not present in the MatrixElement file. The log is returned as a
GaussianLogResultallowing it to be parsed for whatever data may be of interest. This result class also contains ready access to certain data within the log.- Parameters
jcf (
Union[str,List[str]]) – A job control file conforming to Gaussian™ 16 format. This can be provided as a single string with ‘\n’ line separators or as a list of strings.- Raises
QiskitChemistryError – Invalid Input
Methods
Runs the driver to produce a result given the supplied job control file.
Attributes
-
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.