44 lines
1.7 KiB
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44 lines
1.7 KiB
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Use Python with LAMMPS
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**********************
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These doc pages describe various ways that LAMMPS and Python can be
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used together.
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.. toctree::
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:maxdepth: 1
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Python_overview
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Python_install
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Python_run
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Python_usage
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Python_call
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Python_module
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Python_examples
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Python_error
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Python_ext
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Python_trouble
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If you're not familiar with `Python <http://www.python.org>`_, it's a
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powerful scripting and programming language which can do most
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everything that lower-level languages like C or C++ can do in fewer
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lines of code. The only drawback is slower execution speed. Python
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is also easy to use as a "glue" language to drive a program through
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its library interface, or to hook multiple pieces of software
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together, such as a simulation code plus a visualization tool, or to
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run a coupled multiscale or multiphysics model.
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See the :doc:`Howto_couple <Howto_couple>` doc page for more ideas about
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coupling LAMMPS to other codes. See the :doc:`Howto library <Howto_library>` doc page for a description of the LAMMPS
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library interface provided in src/library.h and src/library.h. That
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interface is exposed to Python either when calling LAMMPS from Python
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or when calling Python from a LAMMPS input script and then calling
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back to LAMMPS from Python code. The library interface is designed to
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be easy to add functionality to. Thus the Python interface to LAMMPS
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is also easy to extend as well.
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If you create interesting Python scripts that run LAMMPS or
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interesting Python functions that can be called from a LAMMPS input
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script, that you think would be generally useful, please post them as
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a pull request to our `GitHub site <https://github.com/lammps/lammps>`_,
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and they can be added to the LAMMPS distribution or webpage.
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