.. _PwmatAtomconfigFormat:

pwmat/final.config format
=========================

pwmat/atom.config format
========================

final.config format
===================

atom.config format
==================

Class: :class:`PwmatAtomconfigFormat <dpdata.plugins.pwmat.PwmatAtomconfigFormat>`

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

.. _PwmatAtomconfigFormat_from_system:

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

.. py:function:: dpdata.System(file_name: 'FileType', fmt: Literal['pwmat/final.config'] = None) -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System(file_name: 'FileType', fmt: Literal['pwmat/atom.config'] = None) -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System(file_name: 'FileType', fmt: Literal['final.config'] = None) -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System(file_name: 'FileType', fmt: Literal['atom.config'] = None) -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System.from_pwmat_finalconfig(file_name: 'FileType') -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System.from_pwmat_atomconfig(file_name: 'FileType') -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System.from_finalconfig(file_name: 'FileType') -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System.from_atomconfig(file_name: 'FileType') -> dpdata.system.System
   :noindex:

   
Convert this format to :class:`System`.





:Returns:

    System
        converted system















.. _PwmatAtomconfigFormat_to_system:

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

.. py:function:: dpdata.System.to(fmt: Literal['pwmat/final.config'], file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.System.to(fmt: Literal['pwmat/final.config'], file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.System.to(fmt: Literal['pwmat/final.config'], file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.System.to(fmt: Literal['pwmat/final.config'], file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.System.to_pwmat_finalconfig(file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.System.to_pwmat_atomconfig(file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.System.to_finalconfig(file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.System.to_atomconfig(file_name: 'FileType', frame_idx=0)
   :noindex:

   
Dump the system in pwmat atom.config format.


:Parameters:

    **file_name** : str
        The output file name

    **frame_idx** : int
        The index of the frame to dump


















.. _PwmatAtomconfigFormat_to_labeled_system:

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

.. py:function:: dpdata.LabeledSystem.to(fmt: Literal['pwmat/final.config'], file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to(fmt: Literal['pwmat/final.config'], file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to(fmt: Literal['pwmat/final.config'], file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to(fmt: Literal['pwmat/final.config'], file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to_pwmat_finalconfig(file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to_pwmat_atomconfig(file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to_finalconfig(file_name: 'FileType', frame_idx=0)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to_atomconfig(file_name: 'FileType', frame_idx=0)
   :noindex:

   
Dump the system in pwmat atom.config format.


:Parameters:

    **file_name** : str
        The output file name

    **frame_idx** : int
        The index of the frame to dump