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quantum_package/src/CAS_SD_selected/H_apply.irp.f

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2015-03-02 13:58:00 +01:00
use bitmasks
BEGIN_SHELL [ /usr/bin/env python ]
from generate_h_apply import *
s = H_apply("FCI")
s.set_selection_pt2("epstein_nesbet_2x2")
print s
s = H_apply("FCI_PT2")
s.set_perturbation("epstein_nesbet_2x2")
print s
END_SHELL