19 lines
425 B
Fortran
19 lines
425 B
Fortran
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
|
|
|