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quantum_package/plugins/eginer/CID_SC2_selected/H_apply.irp.f
2018-10-19 11:32:58 +02:00

11 lines
261 B
Fortran

use bitmasks
BEGIN_SHELL [ /usr/bin/env python ]
from generate_h_apply import *
from perturbation import perturbations
s = H_apply("PT2",SingleRef=True,do_mono_exc=False,do_double_exc=True)
s.set_perturbation("epstein_nesbet_sc2_projected")
print s
END_SHELL