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quantum_package/plugins/MP2/H_apply.irp.f

15 lines
271 B
Fortran

use bitmasks
BEGIN_SHELL [ /usr/bin/env python ]
from generate_h_apply import *
from perturbation import perturbations
s = H_apply("mp2")
s.set_perturbation("Moller_plesset")
print s
s = H_apply("mp2_selection")
s.set_selection_pt2("Moller_Plesset")
print s
END_SHELL