574e4067dc
This is the first step for moving the documentation format from *.txt to the *.rst format. In the last years we've been automatically converting txt files from Steve's markup into RST to generate the documentation pages via Sphinx. The decision has now been made to fully migrate to RST and avoid the conversion in the future. This will enable us to fully use RST and Sphinx to improve the documentation. For the intermediate period, while there are still pending PRs with documentation changes, we will keep both source files and update the RST files accordingly.
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50 lines
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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_run
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Python_shlib
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Python_install
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Python_mpi
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Python_test
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Python_library
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Python_pylammps
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Python_examples
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Python_call
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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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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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