From fb2a894e03e3da5e9cea193e375322a20ef5f750 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 17 Mar 2015 16:02:06 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13236 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- python/README | 12 +++++++++--- 1 file changed, 9 insertions(+), 3 deletions(-) diff --git a/python/README b/python/README index 3c7480b94b..9cca886b86 100644 --- a/python/README +++ b/python/README @@ -1,6 +1,6 @@ This directory contains Python code which wraps LAMMPS as a library and allows the LAMMPS library interface to be invoked from Python, -either from a script or interactively. +either from a Python script or using Python interactively. Details on the Python interface to LAMMPS and how to build LAMMPS as a shared library, for use with Python, are given in @@ -16,16 +16,22 @@ variables in your shell script. Or you can run the python/install.py script directly to give you more control over where the two relevant files are installed. See doc/Section_python.html for details. -You can then launch Python and instantiate an instance of LAMMPS: +You should then be able to launch Python and instantiate an instance +of LAMMPS: % python >>> from lammps import lammps >>> lmp = lammps() If that gives no errors, you have succesfully wrapped LAMMPS with -Python. See doc/Section_python.html#py_5 for tests you can then use +Python. See doc/Section_python.html#py_7 for tests you can then use to run LAMMPS both in serial or parallel thru Python. +Note that you can also invoke Python code from within a LAMMPS input +script, using the "python" command. See the doc/python.html doc page +for details. The Python code you invoke can also call back to LAMMPS +using the same interface described here for wrapping LAMMPS. + ------------------------------------------------------------------- Once you have successfully wrapped LAMMPS, you can run the Python