janus.qmmm.HotSpot
==================

.. currentmodule:: janus.qmmm

.. autoclass:: HotSpot

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~HotSpot.__init__
      ~HotSpot.compute_COM
      ~HotSpot.compute_gradients
      ~HotSpot.compute_lamda_i
      ~HotSpot.compute_zero_energy
      ~HotSpot.convert_input
      ~HotSpot.define_buffer_zone
      ~HotSpot.edit_qm_atoms
      ~HotSpot.electrostatic
      ~HotSpot.find_boundary_bonds
      ~HotSpot.find_buffer_atoms
      ~HotSpot.get_Rmax
      ~HotSpot.get_Rmin
      ~HotSpot.get_buffer_info
      ~HotSpot.get_external_charges
      ~HotSpot.get_forces
      ~HotSpot.get_redistributed_positions
      ~HotSpot.get_zero_energy
      ~HotSpot.make_primary_subsys_trajectory
      ~HotSpot.make_second_subsys_trajectory
      ~HotSpot.mechanical
      ~HotSpot.partition
      ~HotSpot.prepare_link_atom
      ~HotSpot.run_aqmmm
      ~HotSpot.run_qmmm
      ~HotSpot.set_Rmax
      ~HotSpot.set_Rmin
      ~HotSpot.update_traj
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~HotSpot.nm_to_angstrom