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Axel Kohlmeyer
2020-10-08 23:35:49 -04:00
parent 90d511bc86
commit 6d67fa004c
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doc/src/Python_overview.rst
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Overview
========
The LAMMPS distribution includes a python directory with all you need to
run LAMMPS from Python. The ``python/lammps.py`` contains :doc:`the
"lammps" Python <Python_module>` that wraps the LAMMPS C-library
interface. This file makes it is possible to do the following either
from a Python script, or interactively from a Python prompt:
The LAMMPS distribution includes a ``python`` directory with the Python
code needed to run LAMMPS from Python. The ``python/lammps.py``
contains :doc:`the "lammps" Python <Python_module>` that wraps the
LAMMPS C-library interface. This file makes it is possible to do the
following either from a Python script, or interactively from a Python
prompt:
- create one or more instances of LAMMPS
- invoke LAMMPS commands or read them from an input script
@ -13,7 +14,7 @@ from a Python script, or interactively from a Python prompt:
- extract LAMMPS results
- and modify internal LAMMPS data structures.
From a Python script you can do this in serial or parallel. Running
From a Python script you can do this in serial or in parallel. Running
Python interactively in parallel does not generally work, unless you
have a version of Python that extends Python to enable multiple
instances of Python to read what you type.