From c7db4e9e1969196dfa6a13ff3a9ccb3fd9d83761 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 8 Feb 2025 18:06:32 -0500 Subject: [PATCH] add docs for region2vmd command --- doc/src/Commands_all.rst | 1 + doc/src/commands_list.rst | 1 + doc/src/region2vmd.rst | 66 +++++++++++++++++++++++++++++++++++++++ 3 files changed, 68 insertions(+) create mode 100644 doc/src/region2vmd.rst diff --git a/doc/src/Commands_all.rst b/doc/src/Commands_all.rst index 58623401f3..bfc9e8538c 100644 --- a/doc/src/Commands_all.rst +++ b/doc/src/Commands_all.rst @@ -140,6 +140,7 @@ additional letter in parenthesis: k = KOKKOS. * :doc:`plugin ` * :doc:`prd ` * :doc:`python ` + * :doc:`region2vmd ` * :doc:`tad ` * :doc:`temper ` * :doc:`temper/grem ` diff --git a/doc/src/commands_list.rst b/doc/src/commands_list.rst index dc5731f579..acfdfd9df0 100644 --- a/doc/src/commands_list.rst +++ b/doc/src/commands_list.rst @@ -82,6 +82,7 @@ Commands read_dump read_restart region + region2vmd replicate rerun reset_atoms diff --git a/doc/src/region2vmd.rst b/doc/src/region2vmd.rst new file mode 100644 index 0000000000..87ad64b65e --- /dev/null +++ b/doc/src/region2vmd.rst @@ -0,0 +1,66 @@ +.. 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 `_ Tcl script file with +commands that aim to create a visualization of :doc:`LAMMPS regions +`. 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 ". + +The created file can be loaded into VMD either from the command line +with the -e flag, or from the command prompt with play