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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5232 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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2010-11-10 17:29:32 +00:00
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doc/Section_python.txt
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@ -596,21 +596,61 @@ 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 via Python,
trivial.py, read/run a LAMMPS input script thru Python,
demo.py, invoke various LAMMPS library interface routines,
simple.py, mimic operation of couple/simple/simple.cpp in Python,
gui.py, GUI go/stop/temperature-slider to control LAMMPS,
plot.py, real-time temeperature plot with GnuPlot via "Pizza.py"_pizza,
viz.py, real-time viz from GL tool in "Pizza.py"_pizza,
vizplotgui.py, combination of viz.py and plot.py and gui.py :tb(c=2)
plot.py, real-time temeperature plot with GnuPlot via Pizza.py,
viz_tool.py, real-time viz via some viz package,
vizplotgui_tool.py, combination of viz.py and plot.py and gui.py :tb(c=2)
:line
For the viz_tool.py and vizplotgui_tool.py commands, replace "tool"
with "gl" or "atomeye" or "pymol", depending on what visualization
package you have installed. We hope to add a VMD option soon.
Note that for GL, you need to be able to run the Pizza.py GL tool,
which is included in the pizza sub-directory. See the "Pizza.py doc
pages"_pizza for more info:
:link(pizza,http://www.sandia.gov/~sjplimp/pizza.html)
Note that for AtomEye, you need version 3, and their is a line in the
scripts that specifies the path and name of the executable. See the
AtomEye WWW pages "here"_atomeye or "here"_atomeye3 for more details:
http://mt.seas.upenn.edu/Archive/Graphics/A
http://mt.seas.upenn.edu/Archive/Graphics/A3/A3.html :pre
:link(atomeye,http://mt.seas.upenn.edu/Archive/Graphics/A)
:link(atomeye3,http://mt.seas.upenn.edu/Archive/Graphics/A3/A3.html)
The latter link is to AtomEye 3 which has the scriping
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 WWW pages "here"_pymol or
"here"_pymolopen for more details:
http://www.pymol.org
http://sourceforge.net/scm/?type=svn&group_id=4546 :pre
:link(pymol,http://www.pymol.org)
:link(pymolopen,http://sourceforge.net/scm/?type=svn&group_id=4546)
The latter link is to the open-source version.
:line
See the python/README file for instructions on how to run them and the
source code for individual scripts for comments about what they do.
:link(pizza,http://www.sandia.gov/~sjplimp/pizza.html)
Here are screenshots of the vizplotgui_tool.py script in action for
different visualization package options. Click to see larger images:
Here's a screenshot of the vizplotgui.py script in action. Click to
see a larger image:
:c,image(JPG/screenshot1_small.jpg,JPG/screenshot1.jpg)
:image(JPG/screenshot_gl_small.jpg,JPG/screenshot_gl.jpg)
:image(JPG/screenshot_atomeye_small.jpg,JPG/screenshot_atomeye.jpg)
:image(JPG/screenshot_pymol_small.jpg,JPG/screenshot_pymol.jpg)