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update docs before patch release

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Steve Plimpton
2017-05-18 13:14:47 -06:00
parent 9db9fc9de3
commit b28ecd44c2
12 changed files with 100 additions and 67 deletions
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doc/src/Section_python.txt
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@ -118,13 +118,21 @@ check which version of Python you have installed, by simply typing
11.2 Overview of using Python from a LAMMPS script :link(py_2),h4
LAMMPS has a "python"_python.html command which can be used in an
input script to define and execute a Python function that you write
the code for. The Python function can also be assigned to a LAMMPS
python-style variable via the "variable"_variable.html command. Each
time the variable is evaluated, either in the LAMMPS input script
itself, or by another LAMMPS command that uses the variable, this will
trigger the Python function to be invoked.
LAMMPS has several commands which can be used to invoke Python
code directly from an input script:
"python"_python.html
"variable python"_variable.html
"fix python"_fix_python.html
"pair_style python"_pair_python.html :ul
The "python"_python.html command which can be used to define and
execute a Python function that you write the code for. The Python
function can also be assigned to a LAMMPS python-style variable via
the "variable"_variable.html command. Each time the variable is
evaluated, either in the LAMMPS input script itself, or by another
LAMMPS command that uses the variable, this will trigger the Python
function to be invoked.
The Python code for the function can be included directly in the input
script or in an auxiliary file. The function can have arguments which
@ -155,13 +163,18 @@ commands.
See the "python"_python.html doc page and the "variable"_variable.html
doc page for its python-style variables for more info, including
examples of Python code you can write for both pure Python operations
and callbacks to LAMMPS. See "fix python"_fix_python.html to learn about
possibilities to execute Python code during each time step.
Through the "python pair style"_pair_python.html it is also possible
to define potential functions as python code.
and callbacks to LAMMPS.
To run pure Python code from LAMMPS, you only need to build LAMMPS
with the PYTHON package installed:
The "fix python"_fix_python.html command can execute
Python code at selected timesteps during a simulation run.
The "pair_style python"_pair_python command allows you to define
pairwise potentials as python code which encodes a single pairwise
interaction. This is useful for rapid-developement and debugging of a
new potential.
To use any of these commands, you only need to build LAMMPS with the
PYTHON package installed:
make yes-python
make machine :pre