.. _sphx_glr_examples_generated_tutorials:

.. _asetutorials:

ASE Tutorials
-------------

This is a collection of more advanced tutorials for ASE.





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

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    <div class="sphx-glr-thumbcontainer" tooltip="The following script will calculate the atomization energy of a nitrogen molecule.">

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  .. image:: /examples_generated/tutorials/images/thumb/sphx_glr_atomization_thumb.png
    :alt:

  :ref:`sphx_glr_examples_generated_tutorials_atomization.py`

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      <div class="sphx-glr-thumbnail-title">Atomization energy</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="First, do a bulk calculation for different lattice constants:">

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  .. image:: /examples_generated/tutorials/images/thumb/sphx_glr_plot_ag_eos_thumb.png
    :alt:

  :ref:`sphx_glr_examples_generated_tutorials_plot_ag_eos.py`

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      <div class="sphx-glr-thumbnail-title">Equation of state (EOS)</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Finding lattice constants using EOS and the stress tensor">

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  .. image:: /examples_generated/tutorials/images/thumb/sphx_glr_04-lattice_thumb.png
    :alt:

  :ref:`sphx_glr_examples_generated_tutorials_04-lattice.py`

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      <div class="sphx-glr-thumbnail-title">Finding lattice constants using EOS and the stress tensor</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="Goals =====">

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  .. image:: /examples_generated/tutorials/images/thumb/sphx_glr_acn_thumb.png
    :alt:

  :ref:`sphx_glr_examples_generated_tutorials_acn.py`

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      <div class="sphx-glr-thumbnail-title">Equilibrating an MD box of acetonitrile</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="  These examples can be run without asap3 installed. In that case,   ASE’s Python implementation of the EMT calculator can be used instead, but it   is much slower.">

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  .. image:: /examples_generated/tutorials/images/thumb/sphx_glr_md_thumb.png
    :alt:

  :ref:`sphx_glr_examples_generated_tutorials_md.py`

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      <div class="sphx-glr-thumbnail-title">Molecular dynamics</div>
    </div>


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    </div>


.. toctree::
   :hidden:

   /examples_generated/tutorials/atomization
   /examples_generated/tutorials/plot_ag_eos
   /examples_generated/tutorials/04-lattice
   /examples_generated/tutorials/acn
   /examples_generated/tutorials/md