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quantum_package/src/MP2/H_apply.irp.f

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2014-05-27 17:30:44 +02:00
use bitmasks
BEGIN_SHELL [ /usr/bin/env python ]
from generate_h_apply import *
from perturbation import perturbations
s = H_apply("mp2",openmp=True)
s.set_perturbation("Moller_plesset")
print s
END_SHELL