use bitmasks BEGIN_SHELL [ /usr/bin/env python ] from generate_h_apply import * from perturbation import perturbations s = H_apply("SC2_selected",SingleRef=True) s.set_selection_pt2("epstein_nesbet_sc2_no_projected") print s s = H_apply("PT2",SingleRef=True) s.set_perturbation("epstein_nesbet_sc2_no_projected") print s s = H_apply("PT2_en_sc2",SingleRef=True) s.set_perturbation("epstein_nesbet_sc2") print s END_SHELL