From 71a6b77ea8c440c99b565e1305c8916f8ed83acd Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 10 Nov 2010 17:29:47 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5233 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- python/README | 16 +++++++++++----- 1 file changed, 11 insertions(+), 5 deletions(-) diff --git a/python/README b/python/README index a2cea54fbf..72372cb985 100644 --- a/python/README +++ b/python/README @@ -27,7 +27,7 @@ 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 -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 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 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 +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 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 The latter link is to the open-source version. +------------------------------------------------------------------- + You can run a particular script in either of the following ways: % 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 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 demo.py