.. _usage:

Usage
=====

UPET integrates with the following atomistic simulation engines and tools.
Click a tile below for the corresponding guide.

.. grid:: 1 2 3 3

    .. grid-item-card:: ASE
      :link: usage_ase
      :link-type: ref

      .. image:: /../static/images/logo-ase.png
        :width: 150px
        :align: center

    .. grid-item-card:: metatrain
      :link: usage_metatrain
      :link-type: ref

      .. image:: /../static/images/logo-metatrain.png
        :class: only-light
        :width: 150px
        :align: center

      .. image:: /../static/images/logo-metatrain-dark.png
        :class: only-dark
        :width: 150px
        :align: center

    .. grid-item-card:: LAMMPS
      :link: usage_lammps
      :link-type: ref

      .. image:: /../static/images/logo-lammps.png
        :width: 150px
        :align: center

    .. grid-item-card:: i-PI
      :link: usage_ipi
      :link-type: ref

      .. image:: /../static/images/logo-ipi.png
        :width: 150px
        :align: center

    .. grid-item-card:: TorchSim
      :link: usage_torchsim
      :link-type: ref

      .. image:: /../static/images/logo-radical-ai.png
        :width: 150px
        :align: center

    .. grid-item-card:: GROMACS
      :link: usage_gromacs
      :link-type: ref

      .. image:: /../static/images/logo-gromacs.svg
        :width: 150px
        :align: center


.. toctree::
   :maxdepth: 1
   :hidden:

   ase
   metatrain
   lammps
   ipi
   torchsim
   gromacs