:orphan:

.. _howtos:

How-Tos
========

This is a collection of minimal code examples for ASE.
For getting started with ASE, please have a look at :ref:`introductionexamples`.
For longer tutorials or specific tasks have a look at
:ref:`tutorials`.

.. note::

    This section is currently under construction. If you have examples for this 
    section you are very welcome to contribute to ASE. You can check our 
    contribution guidelines in :ref:`contribute`.



.. raw:: html

  <div id='sg-tag-list' class='sphx-glr-tag-list'></div>


.. raw:: html

    <div class="sphx-glr-thumbnails">

.. thumbnail-parent-div-open

.. thumbnail-parent-div-close

.. raw:: html

    </div>


File input and ouput
--------------------

Examples on reading and writing files.


.. raw:: html

  <div id='sg-tag-list' class='sphx-glr-tag-list'></div>


.. raw:: html

    <div class="sphx-glr-thumbnails">

.. thumbnail-parent-div-open

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip=" Suppose, we define the ethanal molecule as extended xyz file (``172_ext.xyz``):">

.. only:: html

  .. image:: /howtos_generated/howto_io/images/thumb/sphx_glr_howto_opls_thumb.png
    :alt:

  :doc:`/howtos_generated/howto_io/howto_opls`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Setting up an OPLS force field calculation</div>
    </div>


.. thumbnail-parent-div-close

.. raw:: html

    </div>


Optimization
------------

This provides minimal examples on how to run an optimization.




.. raw:: html

  <div id='sg-tag-list' class='sphx-glr-tag-list'></div>


.. raw:: html

    <div class="sphx-glr-thumbnails">

.. thumbnail-parent-div-open

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="Simple structure relaxation">

.. only:: html

  .. image:: /howtos_generated/howto_optimization/images/thumb/sphx_glr_optimize_structure_thumb.png
    :alt:

  :doc:`/howtos_generated/howto_optimization/optimize_structure`

.. raw:: html

      <div class="sphx-glr-thumbnail-title">Simple structure relaxation</div>
    </div>


.. thumbnail-parent-div-close

.. raw:: html

    </div>


.. toctree::
   :hidden:
   :includehidden:


   /howtos_generated/howto_io/index.rst
   /howtos_generated/howto_optimization/index.rst


.. only:: html

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

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

      :download:`Download all examples in Python source code: howtos_generated_python.zip </howtos_generated/howtos_generated_python.zip>`

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

      :download:`Download all examples in Jupyter notebooks: howtos_generated_jupyter.zip </howtos_generated/howtos_generated_jupyter.zip>`


.. only:: html

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

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