forked from lijiext/lammps
73 lines
2.5 KiB
Plaintext
73 lines
2.5 KiB
Plaintext
"Previous Section"_Modify.html - "LAMMPS WWW Site"_lws -
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"LAMMPS Documentation"_ld - "LAMMPS Commands"_lc - "Next
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Section"_Errors.html :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Commands_all.html)
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:line
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Use Python with LAMMPS :h2
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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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<!-- RST
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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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END_RST -->
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<!-- HTML_ONLY -->
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"Overview of Python and LAMMPS"_Python_overview.html
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"Run LAMMPS from Python"_Python_run.html
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"Build LAMMPS as a shared library"_Python_shlib.html
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"Install LAMMPS in Python"_Python_install.html
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"Extend Python to run in parallel"_Python_mpi.html
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"Test the Python/LAMMPS interface"_Python_test.html
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"Python library interface"_Python_library.html
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"PyLammps interface"_Python_pylammps.html
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"Example Python scripts that use LAMMPS"_Python_examples.html
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"Call Python from a LAMMPS input script"_Python_call.html :all(b)
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<!-- END_HTML_ONLY -->
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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 "Howto_couple"_Howto_couple.html doc page for more ideas about
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coupling LAMMPS to other codes. See the "Howto
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library"_Howto_library.html 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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