BEGIN_SHELL [ /usr/bin/python ] from ezfio_with_default import EZFIO_Provider T = EZFIO_Provider() T.set_type ( "double precision" ) T.set_name ( "thresh_SCF" ) T.set_doc ( "Threshold on the convergence of the Hartree Fock energy" ) T.set_ezfio_dir ( "Hartree_Fock" ) T.set_ezfio_name( "thresh_SCF" ) T.set_output ( "output_Hartree_Fock" ) print T T = EZFIO_Provider() T.set_type ( "integer" ) T.set_name ( "n_it_scf_max" ) T.set_doc ( "Maximum number of SCF iterations" ) T.set_ezfio_dir ( "Hartree_Fock" ) T.set_ezfio_name( "n_it_scf_max" ) T.set_output ( "output_Hartree_Fock" ) print T END_SHELL