pwtools.parse.PwMDOutputFile
============================

.. currentmodule:: pwtools.parse

.. autoclass:: PwMDOutputFile
   :no-members:
   :no-inherited-members:
   :no-special-members:

  
  

   .. automethod:: __init__

  

   .. rubric:: Methods

   .. autosummary::
      :toctree:
   
      ~PwMDOutputFile.apply_units
      ~PwMDOutputFile.assert_attr
      ~PwMDOutputFile.assert_attr_lst
      ~PwMDOutputFile.assert_set_attr
      ~PwMDOutputFile.assert_set_attr_lst
      ~PwMDOutputFile.check_set_attr
      ~PwMDOutputFile.check_set_attr_lst
      ~PwMDOutputFile.dump
      ~PwMDOutputFile.get_alat
      ~PwMDOutputFile.get_cell
      ~PwMDOutputFile.get_cell_unit
      ~PwMDOutputFile.get_cont
      ~PwMDOutputFile.get_coords
      ~PwMDOutputFile.get_coords_frac
      ~PwMDOutputFile.get_coords_unit
      ~PwMDOutputFile.get_ekin
      ~PwMDOutputFile.get_etot
      ~PwMDOutputFile.get_forces
      ~PwMDOutputFile.get_natoms
      ~PwMDOutputFile.get_nkpoints
      ~PwMDOutputFile.get_nstep_scf
      ~PwMDOutputFile.get_return_attr
      ~PwMDOutputFile.get_scf_converged
      ~PwMDOutputFile.get_stress
      ~PwMDOutputFile.get_struct
      ~PwMDOutputFile.get_symbols
      ~PwMDOutputFile.get_temperature
      ~PwMDOutputFile.get_timestep
      ~PwMDOutputFile.get_traj
      ~PwMDOutputFile.init_attr_lst
      ~PwMDOutputFile.is_set_attr
      ~PwMDOutputFile.is_set_attr_lst
      ~PwMDOutputFile.load
      ~PwMDOutputFile.parse
      ~PwMDOutputFile.raw_return
      ~PwMDOutputFile.raw_slice_get
      ~PwMDOutputFile.set_all
      ~PwMDOutputFile.set_attr_lst
      ~PwMDOutputFile.try_set_attr
      ~PwMDOutputFile.try_set_attr_lst
      ~PwMDOutputFile.update_units
   
  
  


  
  
   .. rubric:: Attributes

   .. autosummary::
      :toctree:
   
      ~PwMDOutputFile.default_units
      ~PwMDOutputFile.timeaxis