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quantum_package/src/CAS_SD/H_apply.irp.f

18 lines
281 B
Fortran

use bitmasks
BEGIN_SHELL [ /usr/bin/env python ]
from generate_h_apply import *
s = H_apply("CAS_SD")
print s
s = H_apply("CAS_SD_selected")
s.set_selection_pt2("epstein_nesbet_2x2")
print s
s = H_apply("CAS_SD_PT2")
s.set_perturbation("epstein_nesbet_2x2")
print s
END_SHELL