Add autodoc for lammps.lammps and lammps.NeighList

This commit is contained in:
Richard Berger
2019-11-13 15:54:22 -05:00
parent 28a9dc40cb
commit 62b3e79022
3 changed files with 20 additions and 263 deletions

View File

@ -9,7 +9,7 @@ below assumes you have first imported the "lammps" module in your
Python script, as follows:
.. parsed-literal::
.. code-block:: Python
from lammps import lammps
@ -23,7 +23,7 @@ The python/examples directory has Python scripts which show how Python
can run LAMMPS, grab data, change it, and put it back into LAMMPS.
.. parsed-literal::
.. code-block:: Python
lmp = lammps() # create a LAMMPS object using the default liblammps.so library
# 4 optional args are allowed: name, cmdargs, ptr, comm
@ -100,7 +100,7 @@ can run LAMMPS, grab data, change it, and put it back into LAMMPS.
The lines
.. parsed-literal::
.. code-block:: Python
from lammps import lammps
lmp = lammps()
@ -117,7 +117,7 @@ prompt.
If the ptr argument is set like this:
.. parsed-literal::
.. code-block:: Python
lmp = lammps(ptr=lmpptr)
@ -134,7 +134,7 @@ Note that you can create multiple LAMMPS objects in your Python
script, and coordinate and run multiple simulations, e.g.
.. parsed-literal::
.. code-block:: Python
from lammps import lammps
lmp1 = lammps()
@ -230,7 +230,7 @@ ctypes vector of ints or doubles, allocated and initialized something
like this:
.. parsed-literal::
.. code-block:: Python
from ctypes import \*
natoms = lmp.get_natoms()
@ -265,6 +265,15 @@ following steps:
Python script.
----------
.. autoclass:: lammps.lammps
:members:
:no-undoc-members:
.. autoclass:: lammps.NeighList
:members:
:no-undoc-members:
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html