.. _DeePMDRawFormat:

deepmd/raw format
=================

deepmd format
=============

Class: :class:`DeePMDRawFormat <dpdata.plugins.deepmd.DeePMDRawFormat>`

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

.. _DeePMDRawFormat_from_system:

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

.. py:function:: dpdata.System(file_name, type_map=None, fmt: Literal['deepmd/raw'] = None) -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System(file_name, type_map=None, fmt: Literal['deepmd'] = None) -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System.from_deepmd_raw(file_name, type_map=None) -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System.from_deepmd(file_name, type_map=None) -> dpdata.system.System
   :noindex:

   
Convert this format to :class:`System`.





:Returns:

    System
        converted system















.. _DeePMDRawFormat_to_system:

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

.. py:function:: dpdata.System.to(fmt: Literal['deepmd/raw'], file_name)
   :noindex:
.. py:function:: dpdata.System.to(fmt: Literal['deepmd/raw'], file_name)
   :noindex:
.. py:function:: dpdata.System.to_deepmd_raw(file_name)
   :noindex:
.. py:function:: dpdata.System.to_deepmd(file_name)
   :noindex:

   
Dump the system in deepmd raw format to directory `file_name`.




















.. _DeePMDRawFormat_to_labeled_system:

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

.. py:function:: dpdata.LabeledSystem.to(fmt: Literal['deepmd/raw'], file_name)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to(fmt: Literal['deepmd/raw'], file_name)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to_deepmd_raw(file_name)
   :noindex:
.. py:function:: dpdata.LabeledSystem.to_deepmd(file_name)
   :noindex:

   
Dump the system in deepmd raw format to directory `file_name`.




















.. _DeePMDRawFormat_from_labeled_system:

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

.. py:function:: dpdata.LabeledSystem(file_name, type_map=None, fmt: Literal['deepmd/raw'] = None) -> dpdata.system.LabeledSystem
   :noindex:
.. py:function:: dpdata.LabeledSystem(file_name, type_map=None, fmt: Literal['deepmd'] = None) -> dpdata.system.LabeledSystem
   :noindex:
.. py:function:: dpdata.LabeledSystem.from_deepmd_raw(file_name, type_map=None) -> dpdata.system.LabeledSystem
   :noindex:
.. py:function:: dpdata.LabeledSystem.from_deepmd(file_name, type_map=None) -> dpdata.system.LabeledSystem
   :noindex:

   
Convert this format to :class:`LabeledSystem`.





:Returns:

    LabeledSystem
        converted system















.. _DeePMDRawFormat_from_multi_systems:

Convert from this format to MultiSystems
````````````````````````````````````````

.. py:function:: dpdata.MultiSystems.from_deepmd_raw(directory) -> dpdata.system.MultiSystems
   :noindex:
.. py:function:: dpdata.MultiSystems.from_deepmd(directory) -> dpdata.system.MultiSystems
   :noindex:

   
Convert this format to :class:`MultiSystems`.


:Parameters:

    **directory** : str
        directory of systems



:Returns:

    MultiSystems
        converted system















.. _DeePMDRawFormat_to_multi_systems:

Convert from MultiSystems to this format
````````````````````````````````````````

.. py:function:: dpdata.MultiSystems.to(fmt: Literal['deepmd/raw'], directory) -> dpdata.system.MultiSystems
   :noindex:
.. py:function:: dpdata.MultiSystems.to(fmt: Literal['deepmd/raw'], directory) -> dpdata.system.MultiSystems
   :noindex:
.. py:function:: dpdata.MultiSystems.to_deepmd_raw(directory) -> dpdata.system.MultiSystems
   :noindex:
.. py:function:: dpdata.MultiSystems.to_deepmd(directory) -> dpdata.system.MultiSystems
   :noindex:

   
Convert :class:`MultiSystems` to this format.


:Parameters:

    **directory** : str
        directory to save systems



:Returns:

    MultiSystems
        this system