pwtools.parse.CpmdMDOutputFile
==============================

.. currentmodule:: pwtools.parse

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

  
  

   .. automethod:: __init__

  

   .. rubric:: Methods

   .. autosummary::
      :toctree:
   
      ~CpmdMDOutputFile.apply_units
      ~CpmdMDOutputFile.assert_attr
      ~CpmdMDOutputFile.assert_attr_lst
      ~CpmdMDOutputFile.assert_set_attr
      ~CpmdMDOutputFile.assert_set_attr_lst
      ~CpmdMDOutputFile.check_set_attr
      ~CpmdMDOutputFile.check_set_attr_lst
      ~CpmdMDOutputFile.dump
      ~CpmdMDOutputFile.get_cell
      ~CpmdMDOutputFile.get_cont
      ~CpmdMDOutputFile.get_coords
      ~CpmdMDOutputFile.get_coords_frac
      ~CpmdMDOutputFile.get_econst
      ~CpmdMDOutputFile.get_ekin
      ~CpmdMDOutputFile.get_ekin_cell
      ~CpmdMDOutputFile.get_ekin_elec
      ~CpmdMDOutputFile.get_ekinc
      ~CpmdMDOutputFile.get_ekinh
      ~CpmdMDOutputFile.get_etot
      ~CpmdMDOutputFile.get_forces
      ~CpmdMDOutputFile.get_natoms
      ~CpmdMDOutputFile.get_nkpoints
      ~CpmdMDOutputFile.get_nstep_scf
      ~CpmdMDOutputFile.get_return_attr
      ~CpmdMDOutputFile.get_scf_converged
      ~CpmdMDOutputFile.get_stress
      ~CpmdMDOutputFile.get_struct
      ~CpmdMDOutputFile.get_symbols
      ~CpmdMDOutputFile.get_temperature
      ~CpmdMDOutputFile.get_temperature_cell
      ~CpmdMDOutputFile.get_timestep
      ~CpmdMDOutputFile.get_traj
      ~CpmdMDOutputFile.get_velocity
      ~CpmdMDOutputFile.init_attr_lst
      ~CpmdMDOutputFile.is_set_attr
      ~CpmdMDOutputFile.is_set_attr_lst
      ~CpmdMDOutputFile.load
      ~CpmdMDOutputFile.parse
      ~CpmdMDOutputFile.raw_return
      ~CpmdMDOutputFile.raw_slice_get
      ~CpmdMDOutputFile.set_all
      ~CpmdMDOutputFile.set_attr_lst
      ~CpmdMDOutputFile.try_set_attr
      ~CpmdMDOutputFile.try_set_attr_lst
      ~CpmdMDOutputFile.update_units
   
  
  


  
  
   .. rubric:: Attributes

   .. autosummary::
      :toctree:
   
      ~CpmdMDOutputFile.default_units
      ~CpmdMDOutputFile.timeaxis