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/dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/
H A DFCI.cpp1616 const double GplusJ_pq = getGmat(p, q) + Jmat[ p + L * q ]; in DiagHamSquared() local
1620 … myResult += ( GplusJ_pq * ( special_pq * GplusJ_pq + K_cross_pq_up + K_cross_pq_down ) in DiagHamSquared()