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