pwtools.parse.Cp2kRelaxOutputFile ================================= .. currentmodule:: pwtools.parse .. autoclass:: Cp2kRelaxOutputFile :no-members: :no-inherited-members: :no-special-members: .. automethod:: __init__ .. rubric:: Methods .. autosummary:: :toctree: ~Cp2kRelaxOutputFile.apply_units ~Cp2kRelaxOutputFile.assert_attr ~Cp2kRelaxOutputFile.assert_attr_lst ~Cp2kRelaxOutputFile.assert_set_attr ~Cp2kRelaxOutputFile.assert_set_attr_lst ~Cp2kRelaxOutputFile.check_set_attr ~Cp2kRelaxOutputFile.check_set_attr_lst ~Cp2kRelaxOutputFile.dump ~Cp2kRelaxOutputFile.get_cell ~Cp2kRelaxOutputFile.get_cont ~Cp2kRelaxOutputFile.get_coords ~Cp2kRelaxOutputFile.get_econst ~Cp2kRelaxOutputFile.get_ekin ~Cp2kRelaxOutputFile.get_etot ~Cp2kRelaxOutputFile.get_forces ~Cp2kRelaxOutputFile.get_natoms ~Cp2kRelaxOutputFile.get_return_attr ~Cp2kRelaxOutputFile.get_stress ~Cp2kRelaxOutputFile.get_struct ~Cp2kRelaxOutputFile.get_symbols ~Cp2kRelaxOutputFile.get_temperature ~Cp2kRelaxOutputFile.get_timestep ~Cp2kRelaxOutputFile.get_traj ~Cp2kRelaxOutputFile.get_velocity ~Cp2kRelaxOutputFile.get_volume ~Cp2kRelaxOutputFile.init_attr_lst ~Cp2kRelaxOutputFile.is_set_attr ~Cp2kRelaxOutputFile.is_set_attr_lst ~Cp2kRelaxOutputFile.load ~Cp2kRelaxOutputFile.parse ~Cp2kRelaxOutputFile.raw_return ~Cp2kRelaxOutputFile.raw_slice_get ~Cp2kRelaxOutputFile.set_all ~Cp2kRelaxOutputFile.set_attr_lst ~Cp2kRelaxOutputFile.try_set_attr ~Cp2kRelaxOutputFile.try_set_attr_lst ~Cp2kRelaxOutputFile.update_units .. rubric:: Attributes .. autosummary:: :toctree: ~Cp2kRelaxOutputFile.default_units ~Cp2kRelaxOutputFile.timeaxis