LAMMPS
======

LAMMPS is a classical molecular dynamics (MD) code, with a focus on materials
simulations. It includes a wealth of interatomic potentials, and of basic and
advanced molecular simulations techniques, and is highly parallelized using an
efficient domain decomposition scheme. Learn more about LAMMPS on its `homepage
<https://www.lammps.org>`_.



.. grid:: 1 2 2 3
    :gutter: 1 1 2 3

    .. grid-item::
        .. card:: Path integral molecular dynamics
            :link: ../examples/path-integrals/path-integrals
            :link-type: doc
            :text-align: center
            :shadow: md

            .. image:: ../examples/path-integrals/images/thumb/sphx_glr_path-integrals_thumb.png
                :alt: This example shows how to run a path integral molecular dynamics simulation using i-PI, analyze the output and visualize the trajectory in chemiscope. It uses LAMMPS as the driver to simulate the q-TIP4P/f water model.
                :class: gallery-img

                
    .. grid-item::
        .. card:: Quantum heat capacity of water
            :link: ../examples/heat-capacity/heat-capacity
            :link-type: doc
            :text-align: center
            :shadow: md

            .. image:: ../examples/heat-capacity/images/thumb/sphx_glr_heat-capacity_thumb.png
                :alt: This example shows how to estimate the heat capacity of liquid water from a path integral molecular dynamics simulation. The dynamics are run with i-PI, and LAMMPS is used as the driver to simulate the q-TIP4P/f water model.
                :class: gallery-img