2.15. Extending the library and Python interface
As noted above, these Python class methods correspond one-to-one with
the functions in the LAMMPS library interface in
library.h. This means you can extend the Python wrapper via the
Add a new interface function to
Rebuild LAMMPS as a shared library.
Add a wrapper method to
python/lammps.pyfor this interface function.
You should now be able to invoke the new interface function from a Python script.