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