119 lines
5.3 KiB
Plaintext
119 lines
5.3 KiB
Plaintext
---
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title: GaussianLogDriver
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description: API reference for qiskit.chemistry.drivers.GaussianLogDriver
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in_page_toc_min_heading_level: 1
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python_api_type: class
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python_api_name: qiskit.chemistry.drivers.GaussianLogDriver
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---
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# qiskit.chemistry.drivers.GaussianLogDriver
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<Class id="qiskit.chemistry.drivers.GaussianLogDriver" isDedicatedPage={true} github="https://github.com/qiskit-community/qiskit-aqua/tree/stable/0.9/qiskit/chemistry/drivers/gaussiand/gaussian_log_driver.py" signature="GaussianLogDriver(jcf)" modifiers="class">
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Gaussian™ 16 log driver.
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Qiskit chemistry driver using the Gaussian™ 16 program that provides the log back, via [`GaussianLogResult`](qiskit.chemistry.drivers.GaussianLogResult "qiskit.chemistry.drivers.GaussianLogResult"), for access to the log and data recorded there.
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See [http://gaussian.com/gaussian16/](http://gaussian.com/gaussian16/)
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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 [`GaussianLogResult`](qiskit.chemistry.drivers.GaussianLogResult "qiskit.chemistry.drivers.GaussianLogResult") allowing it to be parsed for whatever data may be of interest. This result class also contains ready access to certain data within the log.
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**Parameters**
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**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.
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**Raises**
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[**QiskitChemistryError**](qiskit.chemistry.QiskitChemistryError "qiskit.chemistry.QiskitChemistryError") – Invalid Input
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### \_\_init\_\_
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<Function id="qiskit.chemistry.drivers.GaussianLogDriver.__init__" signature="__init__(jcf)">
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**Parameters**
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**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.
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**Raises**
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[**QiskitChemistryError**](qiskit.chemistry.QiskitChemistryError "qiskit.chemistry.QiskitChemistryError") – Invalid Input
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</Function>
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## Methods
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| ----------------------------------------------------------------------------------------------------------------------------- | ------------------------------------------------------------------------ |
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| [`__init__`](#qiskit.chemistry.drivers.GaussianLogDriver.__init__ "qiskit.chemistry.drivers.GaussianLogDriver.__init__")(jcf) | **type jcf**`Union`\[`str`, `List`\[`str`]] |
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| [`run`](#qiskit.chemistry.drivers.GaussianLogDriver.run "qiskit.chemistry.drivers.GaussianLogDriver.run")() | Runs the driver to produce a result given the supplied job control file. |
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## Attributes
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| --------------------------------------------------------------------------------------------------------------------------------------------------- | ----------------------------------------------- |
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| [`basis`](#qiskit.chemistry.drivers.GaussianLogDriver.basis "qiskit.chemistry.drivers.GaussianLogDriver.basis") | return basis |
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| [`hf_method`](#qiskit.chemistry.drivers.GaussianLogDriver.hf_method "qiskit.chemistry.drivers.GaussianLogDriver.hf_method") | return Hartree-Fock method |
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| [`molecule`](#qiskit.chemistry.drivers.GaussianLogDriver.molecule "qiskit.chemistry.drivers.GaussianLogDriver.molecule") | return molecule |
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| [`supports_molecule`](#qiskit.chemistry.drivers.GaussianLogDriver.supports_molecule "qiskit.chemistry.drivers.GaussianLogDriver.supports_molecule") | True for derived classes that support Molecule. |
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### basis
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<Attribute id="qiskit.chemistry.drivers.GaussianLogDriver.basis">
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return basis
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**Return type**
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`str`
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</Attribute>
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### hf\_method
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<Attribute id="qiskit.chemistry.drivers.GaussianLogDriver.hf_method">
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return Hartree-Fock method
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**Return type**
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`str`
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</Attribute>
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### molecule
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<Attribute id="qiskit.chemistry.drivers.GaussianLogDriver.molecule">
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return molecule
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**Return type**
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`Optional`\[`Molecule`]
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</Attribute>
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### run
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<Function id="qiskit.chemistry.drivers.GaussianLogDriver.run" signature="run()">
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Runs the driver to produce a result given the supplied job control file.
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**Return type**
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`GaussianLogResult`
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**Returns**
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A log file result.
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**Raises**
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[**QiskitChemistryError**](qiskit.chemistry.QiskitChemistryError "qiskit.chemistry.QiskitChemistryError") – Missing output log
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</Function>
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### supports\_molecule
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<Attribute id="qiskit.chemistry.drivers.GaussianLogDriver.supports_molecule">
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True for derived classes that support Molecule.
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**Return type**
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`bool`
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**Returns**
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True if Molecule is supported.
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</Attribute>
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</Class>
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