Lines Matching refs:j_index
471 for (int j_index=theindex+1; j_index<L; j_index++){ in FillSite() local
472 if (denBK->gIrrep(j_index) == denBK->gIrrep(theindex)){ in FillSite()
474 …if ( MPIRANK == MPIchemps2::owner_q( L, j_index ) ) //Everyone owns the L-tensors --> task divisio… in FillSite()
478 const double d2 = doD2(denT, Ltens[theindex][j_index-theindex-1], workmem); in FillSite()
479 set_2rdm_A_DMRG(theindex,j_index,theindex,theindex, 2*d2); in FillSite()
480 set_2rdm_B_DMRG(theindex,j_index,theindex,theindex,-2*d2); in FillSite()
491 const int j_index = L - 1 - result[ 1 ]; in FillSite() local
492 const int k_index = j_index + result[ 0 ]; in FillSite()
493 if ( denBK->gIrrep( j_index ) == denBK->gIrrep( k_index )){ in FillSite()
496 if ( MPIRANK == MPIchemps2::owner_absigma( j_index, k_index ) ) in FillSite()
500 … const double d3 = doD3(denT, S0tens[theindex][k_index-j_index][j_index-theindex-1], workmem); in FillSite()
501 set_2rdm_A_DMRG(theindex,theindex,j_index,k_index, 2*d3); in FillSite()
502 set_2rdm_B_DMRG(theindex,theindex,j_index,k_index,-2*d3); in FillSite()
506 if ( MPIRANK == MPIchemps2::owner_cdf( L, j_index, k_index ) ) in FillSite()
510 … const double d4 = doD4(denT, F0tens[theindex][k_index-j_index][j_index-theindex-1], workmem); in FillSite()
511 … const double d5 = doD5(denT, F0tens[theindex][k_index-j_index][j_index-theindex-1], workmem); in FillSite()
512 … const double d6 = doD6(denT, F1tens[theindex][k_index-j_index][j_index-theindex-1], workmem); in FillSite()
513 set_2rdm_A_DMRG(theindex,j_index,k_index,theindex, -2*d4 - 2*d5 - 3*d6); in FillSite()
514 set_2rdm_B_DMRG(theindex,j_index,k_index,theindex, -2*d4 - 2*d5 + d6); in FillSite()
515 set_2rdm_A_DMRG(theindex,j_index,theindex,k_index, 4*d4 + 4*d5); in FillSite()
516 set_2rdm_B_DMRG(theindex,j_index,theindex,k_index, 2*d6); in FillSite()
540 const int j_index = ( gj_index / theindex ) + theindex + 1; in FillSite() local
542 if (denBK->gIrrep(g_index) == denBK->gIrrep(j_index)){ in FillSite()
544 …if ( MPIRANK == MPIchemps2::owner_absigma( g_index, j_index ) ) //Everyone owns the L-tensors --> … in FillSite()
548 …e d8 = doD8(denT, Ltens[theindex-1][theindex-g_index-1], Ltens[theindex][j_index-theindex-1], work… in FillSite()
550 …ndD10andD11(denT, Ltens[theindex-1][theindex-g_index-1], Ltens[theindex][j_index-theindex-1], work… in FillSite()
551 set_2rdm_A_DMRG(g_index,theindex,j_index,theindex, -4*d8-d9); in FillSite()
552 set_2rdm_A_DMRG(g_index,theindex,theindex,j_index, 2*d8 + d11); in FillSite()
553 set_2rdm_B_DMRG(g_index,theindex,j_index,theindex, d9 - 2*d10); in FillSite()
554 set_2rdm_B_DMRG(g_index,theindex,theindex,j_index, 2*d8 + 2*d10 - d11); in FillSite()
557 …d12 = doD12(denT, Ltens[theindex-1][theindex-g_index-1], Ltens[theindex][j_index-theindex-1], work… in FillSite()
558 set_2rdm_A_DMRG(g_index,j_index,theindex,theindex, 2*d12); in FillSite()
559 set_2rdm_B_DMRG(g_index,j_index,theindex,theindex,-2*d12); in FillSite()
570 const int j_index = L - 1 - result[ 1 ]; in FillSite() local
571 const int k_index = j_index + result[ 0 ]; in FillSite()
573 const int cnt1 = k_index - j_index; in FillSite()
574 const int cnt2 = j_index - theindex - 1; in FillSite()
576 …ctProd(I_g, denBK->gIrrep(theindex)) == Irreps::directProd(denBK->gIrrep(j_index), denBK->gIrrep(k… in FillSite()
578 if ( MPIRANK == MPIchemps2::owner_absigma( j_index, k_index ) ) in FillSite()
586 if (k_index>j_index){ in FillSite()
590 set_2rdm_A_DMRG(g_index,theindex,j_index,k_index, 2*d13 + 2*d14 + 3*d15 + 3*d16); in FillSite()
591 set_2rdm_A_DMRG(g_index,theindex,k_index,j_index, 2*d13 + 2*d14 - 3*d15 - 3*d16); in FillSite()
592 set_2rdm_B_DMRG(g_index,theindex,j_index,k_index,-2*d13 - 2*d14 + d15 + d16); in FillSite()
593 set_2rdm_B_DMRG(g_index,theindex,k_index,j_index,-2*d13 - 2*d14 - d15 - d16); in FillSite()
597 if ( MPIRANK == MPIchemps2::owner_cdf( L, j_index, k_index ) ) in FillSite()
605 set_2rdm_A_DMRG(g_index,j_index,k_index,theindex, -2*d17 - 2*d18 - 3*d19 - 3*d20); in FillSite()
606 set_2rdm_A_DMRG(g_index,j_index,theindex,k_index, 4*d17 + 4*d18 ); in FillSite()
607 set_2rdm_B_DMRG(g_index,j_index,k_index,theindex, -2*d17 - 2*d18 + d19 + d20); in FillSite()
608 set_2rdm_B_DMRG(g_index,j_index,theindex,k_index, 2*d19 + 2*d20); in FillSite()
615 set_2rdm_A_DMRG(g_index,k_index,j_index,theindex, -2*d21 - 2*d22 - 3*d23 - 3*d24); in FillSite()
616 set_2rdm_A_DMRG(g_index,k_index,theindex,j_index, 4*d21 + 4*d22 ); in FillSite()
617 set_2rdm_B_DMRG(g_index,k_index,j_index,theindex, -2*d21 - 2*d22 + d23 + d24); in FillSite()
618 set_2rdm_B_DMRG(g_index,k_index,theindex,j_index, 2*d23 + 2*d24); in FillSite()