BEGIN_SHELL [ /usr/bin/python ] from ezfio_with_default import EZFIO_Provider T = EZFIO_Provider() T.set_type ( "integer" ) T.set_name ( "n_state_cis" ) T.set_doc ( "Number of states asked for the CIS vector" ) T.set_ezfio_dir ( "cis_dressed" ) T.set_ezfio_name( "n_state_cis" ) T.set_output ( "output_CIS" ) print T T.set_name ( "n_core_cis" ) T.set_doc ( "Number of core orbitals in the dressed CIS" ) T.set_ezfio_name( "n_core_cis" ) print T T.set_name ( "n_act_cis" ) T.set_doc ( "Number of active orbitals in the dressed CIS" ) T.set_ezfio_name( "n_act_cis" ) print T T.set_type ( "logical" ) T.set_name ( "mp2_dressing" ) T.set_doc ( "If true, use MP2 dressing in the dressed CIS" ) T.set_ezfio_name( "mp2_dressing" ) print T T.set_name ( "standard_doubles" ) T.set_doc ( "If true, use standard doubles in the dressed CIS" ) T.set_ezfio_name( "standard_doubles" ) print T T.set_name ( "en_2_2" ) T.set_doc ( "TODO") T.set_ezfio_name( "en_2_2" ) print T END_SHELL