.. _GaussiaGJFFormat:

gaussian/gjf format
===================

Class: :class:`GaussiaGJFFormat <dpdata.plugins.gaussian.GaussiaGJFFormat>`


Gaussian input file.

















Conversions
-----------

.. _GaussiaGJFFormat_from_system:

Convert from this format to System
``````````````````````````````````

.. py:function:: dpdata.System(file_name: 'FileType', fmt: Literal['gaussian/gjf'] = None) -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System.from_gaussian_gjf(file_name: 'FileType') -> dpdata.system.System
   :noindex:

   
Read Gaussian input file.


:Parameters:

    **file_name** : str
        file name



:Returns:

    System
        converted system















.. _GaussiaGJFFormat_to_system:

Convert from System to this format
``````````````````````````````````

.. py:function:: dpdata.System.to(fmt: Literal['gaussian/gjf'], file_name: 'FileType')
   :noindex:
.. py:function:: dpdata.System.to_gaussian_gjf(file_name: 'FileType')
   :noindex:

   
Generate Gaussian input file.


:Parameters:

    **file_name** : str
        file name


















.. _GaussiaGJFFormat_to_labeled_system:

Convert from LabeledSystem to this format
`````````````````````````````````````````

.. py:function:: dpdata.LabeledSystem.to(fmt: Literal['gaussian/gjf'], file_name: 'FileType')
   :noindex:
.. py:function:: dpdata.LabeledSystem.to_gaussian_gjf(file_name: 'FileType')
   :noindex:

   
Generate Gaussian input file.


:Parameters:

    **file_name** : str
        file name