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/dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/
H A DFCI.cpp1440 … const int cnt_up_ij = lookup_cnt_alpha[ irrep_up ][ orbi + L * orbj ][ count_up ]; in CalcSpinSquared() local
1441 …lt -= sign_product1 * vector[ irrep_center_jumps[ 0 ][ irrep_up_bis ] + cnt_up_ij + numPerIrrep_up… in CalcSpinSquared()