10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-24 06:02:17 +02:00
quantum_package/src/CID_SC2_selected/H_apply.irp.f

11 lines
261 B
Forth

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