.. _SQMOutFormat:

sqm/out format
==============

Class: :class:`SQMOutFormat <dpdata.plugins.amber.SQMOutFormat>`

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

.. _SQMOutFormat_from_system:

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

.. py:function:: dpdata.System(fname, fmt: Literal['sqm/out'] = None) -> dpdata.system.System
   :noindex:
.. py:function:: dpdata.System.from_sqm_out(fname) -> dpdata.system.System
   :noindex:

   
Read from ambertools sqm.out.





:Returns:

    System
        converted system















.. _SQMOutFormat_from_labeled_system:

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

.. py:function:: dpdata.LabeledSystem(fname, fmt: Literal['sqm/out'] = None) -> dpdata.system.LabeledSystem
   :noindex:
.. py:function:: dpdata.LabeledSystem.from_sqm_out(fname) -> dpdata.system.LabeledSystem
   :noindex:

   
Read from ambertools sqm.out.





:Returns:

    LabeledSystem
        converted system