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@ -23,13 +23,14 @@ packages. It can be used to glue multiple pieces of software
together, e.g. to run a coupled or multiscale model. See <A HREF = "Section_howto.html#4_10">this
section</A> of the manual and the couple
directory of the distribution for more ideas about coupling LAMMPS to
other codes. See <A HREF = "Section_start.html#2_4">this section</A> about how to
build LAMMPS as a library, and <A HREF = "Section_howto.html#4_19">this section</A>
for a description of the library interface provided in src/library.cpp
and src/library.h and how to extend it for your needs. As described
below, that interface is what is exposed to Python. It is designed to
be easy to add functions to. This has the effect of extending the
Python inteface as well. See details below.
other codes. See <A HREF = "Section_start.html#start_4">this section</A> about how
to build LAMMPS as a library, and <A HREF = "Section_howto.html#4_19">this
section</A> for a description of the library
interface provided in src/library.cpp and src/library.h and how to
extend it for your needs. As described below, that interface is what
is exposed to Python. It is designed to be easy to add functions to.
This has the effect of extending the Python inteface as well. See
details below.
</P>
<P>By using the Python interface LAMMPS can also be coupled with a GUI or
visualization tools that display graphs or animations in real time as
@ -116,7 +117,7 @@ code, you are not building shared versions of these libraries.
</P>
<P>The discussion below describes how to create a shared MPI library. I
suggest you start by configuing LAMMPS without packages installed that
require any libraries besides MPI. See <A HREF = "Section_start.html#2_3">this
require any libraries besides MPI. See <A HREF = "Section_start.html#start_3">this
section</A> of the manual for a discussion of
LAMMPS pacakges. E.g. do not use the KSPACE, GPU, MEAM, POEMS, or
REAX packages.
@ -578,7 +579,7 @@ following steps:
src/library.h.
<LI>Verify the new function is syntactically correct by building LAMMPS as
a library - see <A HREF = "Section_start.html#2_4">this section</A> of the
a library - see <A HREF = "Section_start.html#start_4">this section</A> of the
manual.
<LI>Add a wrapper method in the Python LAMMPS module to python/lammps.py