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