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python/README
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@ -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