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quantum_package/src/Full_CI/H_apply.irp.f
2014-05-28 23:12:00 +02:00

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use bitmasks
BEGIN_SHELL [ /usr/bin/env python ]
from generate_h_apply import *
s = H_apply("FCI",openmp=True)
s.set_selection_pt2("epstein_nesbet_2x2")
print s
END_SHELL