janus.qmmm.PAP
==============

.. currentmodule:: janus.qmmm

.. autoclass:: PAP

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~PAP.nm_to_angstrom