use bitmasks BEGIN_SHELL [ /usr/bin/env python3 ] from generate_h_apply import * from perturbation import perturbations s = H_apply("mp2") s.set_perturbation("Moller_plesset") #s.set_perturbation("epstein_nesbet") print(s) s = H_apply("mp2_selection") s.set_selection_pt2("Moller_Plesset") print(s) END_SHELL