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.. _atomistic-tutorials:

Tutorials
=========



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    <div class="sphx-glr-thumbcontainer" tooltip="This tutorial shows how to define and export an atomistic model following metatomic&#x27;s interface.">

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  .. image:: /examples/images/thumb/sphx_glr_1-export-atomistic-model_thumb.png
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  :ref:`sphx_glr_examples_1-export-atomistic-model.py`

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      <div class="sphx-glr-thumbnail-title">Exporting a model</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="This tutorial shows how to use metatomic atomistic models to run Molecular Dynamics (MD) simulation using ASE. ASE is not the only way to run MD with metatomic models, but it is very easy to setup and use.">

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  .. image:: /examples/images/thumb/sphx_glr_2-running-ase-md_thumb.png
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  :ref:`sphx_glr_examples_2-running-ase-md.py`

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      <div class="sphx-glr-thumbnail-title">Running Molecular Dynamics with ASE</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="This tutorial demonstrates how to create an atomistic model that requires a neighbor list, and use it to run MD simulations. This tutorial assumes knowledge of how to export an atomistic model and run it with the ASE calculator. If you haven&#x27;t read the corresponding examples, please refer to atomistic-tutorial-export and atomistic-tutorial-md.">

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  .. image:: /examples/images/thumb/sphx_glr_3-atomistic-model-with-nl_thumb.png
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  :ref:`sphx_glr_examples_3-atomistic-model-with-nl.py`

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      <div class="sphx-glr-thumbnail-title">Creating models that use neighbor lists</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="Do you feel like your model is too slow? Do you want to make it faster? Instead of guessing which part of the code is responsible for any slowdown, you should profile your code to learn how much time is spent in each function and where to focus any optimization efforts.">

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  .. image:: /examples/images/thumb/sphx_glr_4-profiling_thumb.png
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  :ref:`sphx_glr_examples_4-profiling.py`

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      <div class="sphx-glr-thumbnail-title">Profiling your models</div>
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    </div>


.. toctree::
   :hidden:

   /examples/1-export-atomistic-model
   /examples/2-running-ase-md
   /examples/3-atomistic-model-with-nl
   /examples/4-profiling


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

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

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

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


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

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