add docs for region2vmd command

This commit is contained in:
Axel Kohlmeyer
2025-02-08 18:06:32 -05:00
parent 95858bccc6
commit c7db4e9e19
3 changed files with 68 additions and 0 deletions

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@ -140,6 +140,7 @@ additional letter in parenthesis: k = KOKKOS.
* :doc:`plugin <plugin>`
* :doc:`prd <prd>`
* :doc:`python <python>`
* :doc:`region2vmd <region2vmd>`
* :doc:`tad <tad>`
* :doc:`temper <temper>`
* :doc:`temper/grem <temper_grem>`

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@ -82,6 +82,7 @@ Commands
read_dump
read_restart
region
region2vmd
replicate
rerun
reset_atoms

66
doc/src/region2vmd.rst Normal file
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.. index:: region2vmd
region2cmd command
==================
Syntax
""""""
.. code-block:: LAMMPS
region2vmd file args
* file = name of VMD script file to write
* args = one or more region IDs may be appended
Examples
""""""""
.. code-block:: LAMMPS
region2vmd regions.vmd box c1 c2
Description
"""""""""""
Write a `VMD <https:://ks.uiuc.edu/Research/vmd/>`_ Tcl script file with
commands that aim to create a visualization of :doc:`LAMMPS regions
<region>`. There may be multiple region visualizations stored in a
single file. Only a limited amount of region styles and settings are
currently supported. See **Restrictions** below.
The visualization is implemented by creating a new (and empty) "VMD
molecule" and then using VMD graphics primitives to represent the region
in VMD. Each region will be stored in a separate "VMD molecule" with
the name "LAMMPS region <region ID>".
The created file can be loaded into VMD either from the command line
with the -e flag, or from the command prompt with play <script file>, or
from the File menu via "Load VMD visualization state".
----------
Restrictions
""""""""""""
This command is part of the EXTRA-COMMAND package. It is only enabled
if LAMMPS was built with that package. See the :doc:`Build package
<Build_package>` page for more info.
Only the following region styles are currently supported: *block*,
*cylinder*, *cone*, *sphere*. For region style *cone* one of the two
radii must be zero, since the equivalent VMD graphics primitive does not
support truncated cones.
Moving or rotating regions as well as unions or intersecting regions are
also currently not supported.
Related commands
""""""""""""""""
:doc:`region <region>`
Default
"""""""
none