pwtools.parse.CpmdSCFOutputFile
===============================

.. currentmodule:: pwtools.parse

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

  
  

   .. automethod:: __init__

  

   .. rubric:: Methods

   .. autosummary::
      :toctree:
   
      ~CpmdSCFOutputFile.apply_units
      ~CpmdSCFOutputFile.assert_attr
      ~CpmdSCFOutputFile.assert_attr_lst
      ~CpmdSCFOutputFile.assert_set_attr
      ~CpmdSCFOutputFile.assert_set_attr_lst
      ~CpmdSCFOutputFile.check_set_attr
      ~CpmdSCFOutputFile.check_set_attr_lst
      ~CpmdSCFOutputFile.dump
      ~CpmdSCFOutputFile.get_cell
      ~CpmdSCFOutputFile.get_cont
      ~CpmdSCFOutputFile.get_coords_frac
      ~CpmdSCFOutputFile.get_etot
      ~CpmdSCFOutputFile.get_forces
      ~CpmdSCFOutputFile.get_natoms
      ~CpmdSCFOutputFile.get_nkpoints
      ~CpmdSCFOutputFile.get_nstep_scf
      ~CpmdSCFOutputFile.get_return_attr
      ~CpmdSCFOutputFile.get_scf_converged
      ~CpmdSCFOutputFile.get_stress
      ~CpmdSCFOutputFile.get_struct
      ~CpmdSCFOutputFile.get_symbols
      ~CpmdSCFOutputFile.init_attr_lst
      ~CpmdSCFOutputFile.is_set_attr
      ~CpmdSCFOutputFile.is_set_attr_lst
      ~CpmdSCFOutputFile.load
      ~CpmdSCFOutputFile.parse
      ~CpmdSCFOutputFile.raw_return
      ~CpmdSCFOutputFile.raw_slice_get
      ~CpmdSCFOutputFile.set_all
      ~CpmdSCFOutputFile.set_attr_lst
      ~CpmdSCFOutputFile.try_set_attr
      ~CpmdSCFOutputFile.try_set_attr_lst
      ~CpmdSCFOutputFile.update_units
   
  
  


  
  
   .. rubric:: Attributes

   .. autosummary::
      :toctree:
   
      ~CpmdSCFOutputFile.default_units