36 lines
1.4 KiB
Plaintext
36 lines
1.4 KiB
Plaintext
"Previous Section"_Examples.html - "LAMMPS WWW Site"_lws -
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"LAMMPS Documentation"_ld - "LAMMPS Commands"_lc - "Next
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Section"_Tools.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.html#comm)
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:line
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Overview of Python and LAMMPS :h3
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LAMMPS can work together with Python in three ways. First, Python can
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wrap LAMMPS through the its "library interface"_Howto_library.html, so
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that a Python script can create one or more instances of LAMMPS and
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launch one or more simulations. In Python lingo, this is "extending"
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Python with LAMMPS.
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Second, a lower-level Python interface can be used indirectly through
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provided PyLammps and IPyLammps wrapper classes, written in Python.
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These wrappers try to simplify the usage of LAMMPS in Python by
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providing an object-based interface to common LAMMPS functionality.
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They also reduces the amount of code necessary to parameterize LAMMPS
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scripts through Python and make variables and computes directly
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accessible.
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Third, LAMMPS can use the Python interpreter, so that a LAMMPS
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input script can invoke Python code directly, and pass information
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back-and-forth between the input script and Python functions you
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write. This Python code can also callback to LAMMPS to query or change
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its attributes. In Python lingo, this is "embedding" Python in
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LAMMPS. When used in this mode, Python can perform operations that
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the simple LAMMPS input script syntax cannot.
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