janus.mm\_wrapper.MMWrapper
===========================

.. currentmodule:: janus.mm_wrapper

.. autoclass:: MMWrapper

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~MMWrapper.__init__
      ~MMWrapper.build_qm_param
      ~MMWrapper.compute_info
      ~MMWrapper.convert_input
      ~MMWrapper.convert_trajectory
      ~MMWrapper.get_energy_and_gradient
      ~MMWrapper.get_geom_from_trajectory
      ~MMWrapper.get_main_charges
      ~MMWrapper.get_main_info
      ~MMWrapper.initialize
      ~MMWrapper.optimize_geometry
      ~MMWrapper.set_external_charges
      ~MMWrapper.set_qm_geometry
      ~MMWrapper.set_up_reporters
      ~MMWrapper.take_step
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~MMWrapper.au_bohr_to_kjmol_nm
      ~MMWrapper.kjmol_nm_to_au_bohr
      ~MMWrapper.kjmol_to_au
      ~MMWrapper.nm_to_angstrom
      ~MMWrapper.nm_to_bohr