.. _DFTBplusFormat:

dftbplus format
===============

Class: :class:`DFTBplusFormat <dpdata.plugins.dftbplus.DFTBplusFormat>`


The DFTBplusFormat class handles files in the DFTB+ format.

This class provides a method to read DFTB+ files from a labeled system and
returns a dictionary containing various properties of the system.For more
information, please refer to the official documentation at the following URL:
https://dftbplus.org/documentation


:Attributes:

    **None**
        ..

.. rubric:: Methods



===================================================================================  ==========
**from_labeled_system(file_paths, **kwargs): Reads system information from files.**    
===================================================================================  ==========













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

.. _DFTBplusFormat_from_labeled_system:

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

.. py:function:: dpdata.LabeledSystem(file_paths, fmt: Literal['dftbplus'] = None) -> dpdata.system.LabeledSystem
   :noindex:
.. py:function:: dpdata.LabeledSystem.from_dftbplus(file_paths) -> dpdata.system.LabeledSystem
   :noindex:

   
Reads system information from the given DFTB+ file paths.


:Parameters:

    **file_paths** : tuple
        A tuple containing the input and output file paths.
        - Input file (file_in): Contains information about symbols and coord.
        - Output file (file_out): Contains information about energy and force.



:Returns:

    LabeledSystem
        converted system