Merge branch 'improved_python_interface' of https://github.com/rbberger/lammps into merge-pull-116

python/README

@@ -34,6 +34,32 @@ using the same interface described here for wrapping LAMMPS.
 
 -------------------------------------------------------------------
 
+Alternative Python wrapper for LAMMPS
+
+In addition to the original wrapper, you can use the PyLammps or IPyLammps
+wrappers to create simpler Python scripts and IPython notebooks.
+
+>>> from lammps import lammps, PyLammps, IPyLammps
+>>> lmp = lammps()
+>>> L = PyLammps(lmp)
+
+Using these higher-level wrappers translates any function call into their
+corresponding LAMMPS command. Arguments are either passed as one
+string or individual parameters. Parameter lists are automatically
+joined to one command string. E.g.,
+
+>>> L.velocity("all create", 1.44, 87287, "loop geom")
+
+is translated into the following call in the original interface:
+
+>>> lmp.command("velocity all create 1.44 87287 loop geom")
+
+It also gives you an easier way to query the system state, evaluate variable
+expressions and access atom data. See examples/ipython/interface_usage.ipynb
+for more details.
+
+-------------------------------------------------------------------
+
 Once you have successfully wrapped LAMMPS, you can run the Python
 scripts in the examples sub-directory: