.. _modifiers.render_lammps_regions:

Render LAMMPS regions |ovito-pro|
---------------------------------

.. versionadded:: 3.8.0

.. image:: /images/modifiers/render_lammps_regions_opengl.*
  :width: 30%
  :align: right

This :ref:`Python-based modifier function <particles.modifiers.python_script>` lets you visualize
spatial regions with different 3D geometries as defined by the `region <https://docs.lammps.org/region.html>`__ command
of the `LAMMPS <https://docs.lammps.org/>`__ simulation code.
The modifier generates explicit mesh-based representations of the parametric regions,
e.g. cylinders, spheres, cones, planes, and blocks.

The modifier panel lets you enter one or more `LAMMPS region commands <https://docs.lammps.org/region.html>`__ into the text field. For example:

::

  region 1 ellipsoid 0 0 0 5 10 5 rotate 3.14 0 0 20 1 1 1
  region 2 cylinder y 20 20 8 -10 40
  region 3 prism -40 -25 -5 5 -25 25 5 5 0
  region 4 sphere 50 0 -50 30

The modifier interprets these text commands and generates a renderable :ref:`surface mesh <scene_objects.surface_mesh>` object
consisting of multiple mesh parts, one for each region command, as depicted on the right.
Furthermore, the list of generated surface mesh regions is accessible on the :guilabel:`Surfaces` tab of
OVITO's :ref:`data inspector <data_inspector>`:

.. image:: /images/modifiers/render_lammps_regions_data_inspector.*
  :width: 60%

.. note::

  The modifier function directly interprets the entered *region* commands -- the LAMMPS code is not required for this.
  However, the internal interpreter does not support all options of LAMMPS' original `region <https://docs.lammps.org/region.html>`__ command.
  The limitations are documented below.

Supported region commands
"""""""""""""""""""""""""

.. image:: /images/modifiers/render_lammps_regions_panel.*
  :width: 32%
  :align: right

This modifier currently supports the following LAMMPS `region styles and keywords <https://docs.lammps.org/region.html>`__:

  :Styles:
    *block*, *cone*, *cylinder*, *ellipsoid*, *plane*, *prism*, *sphere*
  :Keywords:
    *rotate*, *move*, *side*, *open*

Following the LAMMPS `parsing rules <https://docs.lammps.org/Commands_parse.html>`__, if a line ends with "&",
the command is expected to continue on the following line.

In OVITO, all regions have to be defined in simulation **box units**. Lattice units are *not* supported, because
OVITO has no notion of lattices defined in LAMMPS.

LAMMPS equal-style variables of the form ``v_...`` are **not** supported either. This means you cannot create
dynamic regions with time-dependent position or orientation. Please replace variables with their literal values
when adopting region commands from LAMMPS.

Creating particle selections
""""""""""""""""""""""""""""

The modifier provides an option to select all particles located within one of the defined regions.

Simulation cell boundaries
""""""""""""""""""""""""""

LAMMPS regions do not live in periodic domains, which is why the generated surface mesh does not get wrapped back into the simulation box
even if the :ref:`input box uses periodic boundary conditions <scene_objects.simulation_cell>` (left).

Parts of the surface mesh that are outside the box boundaries may be hidden by checking the :guilabel:`Clip at cell boundaries` option
of the :ref:`visual_elements.surface_mesh` visual element (center).

Furthermore, the :guilabel:`Cap polygons` option activates the display of caps where the mesh was clipped at the box boundaries (right).

.. image:: /images/modifiers/render_lammps_regions_clip_and_cap_a.*
  :width: 20%

.. image:: /images/modifiers/render_lammps_regions_clip_and_cap_b.*
  :width: 20%

.. image:: /images/modifiers/render_lammps_regions_clip_and_cap_c.*
  :width: 20%

.. seealso::

  :py:class:`ovito.modifiers.RenderLAMMPSRegionsModifier` (Python API)