:orphan:



.. _sphx_glr_code:

This is the actually implementation. It is also self explained and export to docs!


.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="The module nnp.so3 contains tools to rotate point clouds in 3D space.">

.. only:: html

 .. figure:: /code/images/thumb/sphx_glr_so3_thumb.png
     :alt: SO(3) Lie Group Operations

     :ref:`sphx_glr_code_so3.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /code/so3

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="The module nnp.md provide tools to run molecular dynamics with a potential defined by PyTorch.">

.. only:: html

 .. figure:: /code/images/thumb/sphx_glr_md_thumb.png
     :alt: Molecular Dynamics

     :ref:`sphx_glr_code_md.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /code/md

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="The module nnp.pbc contains tools to deal with periodic boundary conditions.">

.. only:: html

 .. figure:: /code/images/thumb/sphx_glr_pbc_thumb.png
     :alt: Periodic Boundary Conditions

     :ref:`sphx_glr_code_pbc.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /code/pbc

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="The module nnp.vib contains tools to compute analytical hessian and do vibrational analysis.">

.. only:: html

 .. figure:: /code/images/thumb/sphx_glr_vib_thumb.png
     :alt: Vibrational Analysis

     :ref:`sphx_glr_code_vib.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /code/vib
.. raw:: html

    <div class="sphx-glr-clear"></div>



.. only :: html

 .. container:: sphx-glr-footer
    :class: sphx-glr-footer-gallery


  .. container:: sphx-glr-download sphx-glr-download-python

    :download:`Download all examples in Python source code: code_python.zip <//home/runner/work/nnp/nnp/docs/code/code_python.zip>`



  .. container:: sphx-glr-download sphx-glr-download-jupyter

    :download:`Download all examples in Jupyter notebooks: code_jupyter.zip <//home/runner/work/nnp/nnp/docs/code/code_jupyter.zip>`


.. only:: html

 .. rst-class:: sphx-glr-signature

    `Gallery generated by Sphinx-Gallery <https://sphinx-gallery.github.io>`_