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Richard Berger
2020-12-17 11:54:30 -05:00
parent 3103fe85f6
commit f9f9c37bd2
6 changed files with 111 additions and 109 deletions
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doc/src/python.rst
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@ -323,8 +323,8 @@ Python function is as follows:
The function definition must include a variable (lmpptr in this case)
which corresponds to SELF in the python command. The first line of the
function imports the Python module lammps.py in the python directory of
the distribution. The second line creates a Python object "lmp" which
function imports the :doc:`"lammps" Python module <Python_module>`.
The second line creates a Python object ``lmp`` which
wraps the instance of LAMMPS that called the function. The "ptr=lmpptr"
argument is what makes that happen. The third line invokes the
command() function in the LAMMPS library interface. It takes a single
@ -502,18 +502,16 @@ Python library on your system. Settings to enable this are in the
lib/python/Makefile.lammps file. See the lib/python/README file for
information on those settings.
If you use Python code which calls back to LAMMPS, via the SELF input
argument explained above, there is an extra step required when
building LAMMPS. LAMMPS must also be built as a shared library and
your Python function must be able to load the Python module in
python/lammps.py that wraps the LAMMPS library interface. These are
the same steps required to use Python by itself to wrap LAMMPS.
Details on these steps are explained on the :doc:`Python <Python_head>`
doc page. Note that it is important that the stand-alone LAMMPS
executable and the LAMMPS shared library be consistent (built from the
same source code files) in order for this to work. If the two have
been built at different times using different source files, problems
may occur.
If you use Python code which calls back to LAMMPS, via the SELF input argument
explained above, there is an extra step required when building LAMMPS. LAMMPS
must also be built as a shared library and your Python function must be able to
load the :doc:`"lammps" Python module <Python_module>` that wraps the LAMMPS
library interface. These are the same steps required to use Python by itself
to wrap LAMMPS. Details on these steps are explained on the :doc:`Python
<Python_head>` doc page. Note that it is important that the stand-alone LAMMPS
executable and the LAMMPS shared library be consistent (built from the same
source code files) in order for this to work. If the two have been built at
different times using different source files, problems may occur.
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