From 91a1e9abb493015cd27dd0d95eb7e54a3a03a5a9 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Fri, 16 Oct 2020 17:34:32 -0400 Subject: [PATCH] Correct table in Python_examples.rst --- doc/src/Python_examples.rst | 46 +++++++++++++++++-------------------- 1 file changed, 21 insertions(+), 25 deletions(-) diff --git a/doc/src/Python_examples.rst b/doc/src/Python_examples.rst index 94b3e7e2ff..60184bc450 100644 --- a/doc/src/Python_examples.rst +++ b/doc/src/Python_examples.rst @@ -10,30 +10,26 @@ things that are possible when Python wraps LAMMPS. If you create your own scripts, send them to us and we can include them in the LAMMPS distribution. -+----------------------------------------------------------------+--------------------------------------------------+ -| trivial.py | read/run a LAMMPS input script through Python | -+----------------------------------------------------------------+--------------------------------------------------+ -| demo.py | invoke various LAMMPS library interface routines | -+----------------------------------------------------------------+--------------------------------------------------+ -| simple.py | run in parallel | -+----------------------------------------------------------------+--------------------------------------------------+ -| similar to examples/COUPLE/simple/simple.cpp | split.py | -+----------------------------------------------------------------+--------------------------------------------------+ -| same as simple.py but running in parallel on a subset of procs | gui.py | -+----------------------------------------------------------------+--------------------------------------------------+ -| GUI go/stop/temperature-slider to control LAMMPS | plot.py | -+----------------------------------------------------------------+--------------------------------------------------+ -| real-time temperature plot with GnuPlot via Pizza.py | viz_tool.py | -+----------------------------------------------------------------+--------------------------------------------------+ -| real-time viz via some viz package | vizplotgui_tool.py | -+----------------------------------------------------------------+--------------------------------------------------+ -| combination of viz_tool.py and plot.py and gui.py | | -+----------------------------------------------------------------+--------------------------------------------------+ ++------------------------+--------------------------------------------------------------------+ +| ``trivial.py`` | read/run a LAMMPS input script through Python | ++------------------------+--------------------------------------------------------------------+ +| ``demo.py`` | invoke various LAMMPS library interface routines | ++------------------------+--------------------------------------------------------------------+ +| ``simple.py`` | run in parallel, similar to ``examples/COUPLE/simple/simple.cpp`` | ++------------------------+--------------------------------------------------------------------+ +| ``split.py`` | same as ``simple.py`` but running in parallel on a subset of procs | ++------------------------+--------------------------------------------------------------------+ +| ``gui.py`` | GUI go/stop/temperature-slider to control LAMMPS | ++------------------------+--------------------------------------------------------------------+ +| ``plot.py`` | real-time temperature plot with GnuPlot via Pizza.py | ++------------------------+--------------------------------------------------------------------+ +| ``viz_TOOL.py`` | real-time viz via some viz package | ++------------------------+--------------------------------------------------------------------+ +| ``vizplotgui_TOOL.py`` | combination of ``viz_TOOL.py`` and ``plot.py`` and ``gui.py`` | ++------------------------+--------------------------------------------------------------------+ ----------- - -For the ``viz_tool.py`` and ``vizplotgui_tool.py`` commands, replace "tool" -with "gl" or "atomeye" or "pymol" or "vmd", depending on what +For the ``viz_TOOL.py`` and ``vizplotgui_TOOL.py`` commands, replace ``TOOL`` +with ``gl`` or ``atomeye`` or ``pymol`` or ``vmd``, depending on what visualization package you have installed. Note that for GL, you need to be able to run the Pizza.py GL tool, @@ -45,7 +41,7 @@ which is included in the pizza sub-directory. See the Pizza.py doc pages for mo Note that for AtomEye, you need version 3, and there is a line in the scripts that specifies the path and name of the executable. See the -AtomEye webpages for more details: +AtomEye web pages for more details: * `http://li.mit.edu/Archive/Graphics/A/ `_ * `http://li.mit.edu/Archive/Graphics/A3/A3.html `_ @@ -59,7 +55,7 @@ capability needed by these Python scripts. Note that for PyMol, you need to have built and installed the open-source version of PyMol in your Python, so that you can import it -from a Python script. See the PyMol webpages for more details: +from a Python script. See the PyMol web pages for more details: * `https://www.pymol.org `_ * `https://github.com/schrodinger/pymol-open-source `_