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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5233 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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@ -27,7 +27,7 @@ demo.py invoke various LAMMPS library interface routines
simple.py mimic operation of couple/simple/simple.cpp in Python simple.py mimic operation of couple/simple/simple.cpp in Python
gui.py GUI go/stop/temperature-slider to control LAMMPS gui.py GUI go/stop/temperature-slider to control LAMMPS
plot.py real-time temeperature plot with GnuPlot via Pizza.py plot.py real-time temeperature plot with GnuPlot via Pizza.py
viz_tool.py real-time viz from GL tool in 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 vizplotgui_tool.py combination of viz.py and plot.py and gui.py
For the viz_tool.py and vizplotgui_tool.py commands, replace "tool" For the viz_tool.py and vizplotgui_tool.py commands, replace "tool"
@ -44,18 +44,23 @@ 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 scripts that specifies the path and name of the executable. See
the AtomEye WWW pages for more details: the AtomEye WWW pages for more details:
http://mt.seas.upenn.edu/Archive/Graphics/A/ http://mt.seas.upenn.edu/Archive/Graphics/A
http://mt.seas.upenn.edu/Archive/Graphics/A3/A3.html 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 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 open-source version of PyMol in your Python, so that you can import it
from a Python script. See the AtomEye WWW pages for more details: from a Python script. See the PyMol WWW pages for more details:
http://www.pymol.org/ http://www.pymol.org
http://sourceforge.net/scm/?type=svn&group_id=4546 http://sourceforge.net/scm/?type=svn&group_id=4546
The latter link is to the open-source version. The latter link is to the open-source version.
-------------------------------------------------------------------
You can run a particular script in either of the following ways: You can run a particular script in either of the following ways:
% trivial.py in.trivial % trivial.py in.trivial
@ -64,7 +69,8 @@ You can run a particular script in either of the following ways:
The former assumes that you have changed the first line of the script The former assumes that you have changed the first line of the script
to point to the Python installed on your box. to point to the Python installed on your box.
Run the Python scripts with the following LAMMPS input scripts and arguments: Run the Python scripts with the following LAMMPS input scripts and
arguments:
trivial.py in.trivial trivial.py in.trivial
demo.py demo.py