2026-06-19 MDI engines
======================

Goal
----

Supporting MDI with, initially, MOPAC and xTB as engines for LAMMPS. This will allow us
to use semiempirical methods with MD. This initial phase will build on the work with the
MDI connections for MLFFs, starting with standalone tests and ending with incorporating
the functionality in the LAMMPS step in SEAMM.

Contents:

.. toctree::
   :glob:
   :maxdepth: 2

   PLAN*
   NOTES_*