LAMMPS.Pt111.d
--------------

**Description:**

This example contains the structure from the OptBench `saddle search example <http://optbench.org/saddle-search.html#pt-heptamer>`_.

The ARTn input ``artn.in`` specifies to read the initial push from a file called `ini_push.xyz`:

::

    push_mode = 'file'
    push_guess = 'ini_push.xyz'

By this option, one can impose a specific vector as initial push to ARTn. Note that the vector is read and used as-is, without any scaling applied. Thus the vector in the file needs to be written in units of ARTn, which is Bohr radius.


**Launch command:**

Launch the same way as your favourite LAMMPS calculation:

.. code-block:: bash

		./lmp -in lammps.in

**Expected results:**

By visualizing the LAMMPS dump file in ``config.dmp`` you should see the whole process of finding the saddle poin. The ARTn output should report an energy barrier of 0.986 eV.
See the files in ``reference.d`` directory for expected results. Read more about pARTn output files `here <https://mammasmias.gitlab.io/artn-plugin/user_guide/tutorial/partn_output.html>`_.