janus.qmmm.SAP
==============

.. currentmodule:: janus.qmmm

.. autoclass:: SAP

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~SAP.nm_to_angstrom