use bitmasks BEGIN_SHELL [ /usr/bin/env python ] from generate_h_apply import * s = H_apply("FCI") s.set_selection_pt2("epstein_nesbet_2x2") #s.unset_openmp() print s s = H_apply("FCI_PT2") s.set_perturbation("epstein_nesbet_2x2") s.unset_openmp() print s s = H_apply("FCI_PT2_new") s.set_perturbation("decontracted") s.unset_openmp() print s s = H_apply("FCI_no_skip") s.set_selection_pt2("epstein_nesbet_2x2") s.unset_skip() #s.unset_openmp() print s s = H_apply("FCI_no_selection") s.set_selection_pt2("dummy") s.unset_skip() print s s = H_apply("FCI_mono") s.set_selection_pt2("epstein_nesbet_2x2") s.unset_double_excitations() s.unset_openmp() print s END_SHELL