/dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/ |
H A D | HeffDiagrams4.cpp | 2640 int IRdown = Irreps::directProd(IR,Irrep); local 2704 int IRdown = Irreps::directProd(IR,Irrep); local 2842 int IRdown = Irreps::directProd(IR,Irrep); local 2980 int IRdown = Irreps::directProd(IR,Irrep); local 3606 int IRdown = Irreps::directProd(IR,Irrep); local 3673 int IRdown = Irreps::directProd(IR,Irrep); local 3818 int IRdown = Irreps::directProd(IR,Irrep); local 4297 int IRdown = Irreps::directProd(IR,Aright->get_irrep()); local 4437 int IRdown = Irreps::directProd(IR,Bright->get_irrep()); local 4594 int IRdown = Irreps::directProd(IR,Cright->get_irrep()); local [all …]
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H A D | HeffDiagrams5.cpp | 90 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local 170 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local 249 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local 321 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local 420 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local 497 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local 575 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local 897 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local 1142 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local 1533 int IRdown = Irreps::directProd(IR, IrrepTimesMid); local [all …]
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H A D | HeffDiagrams3.cpp | 330 int IRdown = Irreps::directProd(IR,denBK->gIrrep(l_index)); in addDiagram3C() local 371 int IRdown = Irreps::directProd(IR,denBK->gIrrep(l_index)); in addDiagram3C() local 489 int IRdown = Irreps::directProd(IR,denBK->gIrrep(theindex)); in addDiagram3Kand3F() local 498 int dimRdown = denBK->gCurrentDim(theindex+2, NR-1, TwoSRdown, IRdown); in addDiagram3Kand3F() 515 int dimRdown = denBK->gCurrentDim(theindex+2, NR-1, TwoSRdown, IRdown); in addDiagram3Kand3F() 553 int dimRdown = denBK->gCurrentDim(theindex+2, NR+1, TwoSRdown, IRdown); in addDiagram3Kand3F() 622 int IRdown = Irreps::directProd(IR,denBK->gIrrep(theindex+1)); in addDiagram3Land3G() local 648 int dimRdown = denBK->gCurrentDim(theindex+2, NR-1, TwoSRdown, IRdown); in addDiagram3Land3G() 686 int dimRdown = denBK->gCurrentDim(theindex+2, NR+1, TwoSRdown, IRdown); in addDiagram3Land3G() 778 int IRdown = Irreps::directProd(IR,denBK->gIrrep(l_index)); in addDiagram3J() local [all …]
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H A D | HeffDiagrams2.cpp | 63 int memSkappa = denS->gKappa(NL-2,TwoSL,ILdown,N1,N2,TwoJ,NR-2,TwoSR,IRdown); in addDiagram2a1spin0() 68 int dimRdown = denBK->gCurrentDim(theindex+2,NR-2,TwoSR,IRdown); in addDiagram2a1spin0() 100 int memSkappa = denS->gKappa(NL-2,TwoSL,ILdown,N1,N2,TwoJ,NR-2,TwoSR,IRdown); in addDiagram2a1spin0() 105 int dimRdown = denBK->gCurrentDim(theindex+2,NR-2,TwoSR,IRdown); in addDiagram2a1spin0() 169 int dimRdown = denBK->gCurrentDim(theindex+2,NR+2,TwoSR,IRdown); in addDiagram2a2spin0() 206 int dimRdown = denBK->gCurrentDim(theindex+2,NR+2,TwoSR,IRdown); in addDiagram2a2spin0() 511 int memSkappa = denS->gKappa(NL,TwoSL,ILdown,N1,N2,TwoJ,NR,TwoSR,IRdown); in addDiagram2a3spin0() 516 int dimRdown = denBK->gCurrentDim(theindex+2,NR,TwoSR,IRdown); in addDiagram2a3spin0() 552 int dimRdown = denBK->gCurrentDim(theindex+2,NR,TwoSR,IRdown); in addDiagram2a3spin0() 590 int dimRdown = denBK->gCurrentDim(theindex+2,NR,TwoSR,IRdown); in addDiagram2a3spin0() [all …]
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H A D | Excitation.cpp | 217 const int IRdown = Irreps::directProd( IR, book_up->gIrrep( index ) ); in first_left() local 231 int dimRdown = book_down->gCurrentDim( index + 2, NR - 1, TwoSRdown, IRdown ); in first_left() 238 double * block_right = Rtrans->gStorage( NR - 1, TwoSRdown, IRdown, NR, TwoSR, IR ); in first_left() 249 int dimRdown = book_down->gCurrentDim( index + 2, NR - 1, TwoSRdown, IRdown ); in first_left() 288 const int IRdown = Irreps::directProd( IR, book_up->gIrrep( index ) ); in second_left() local 299 int dimRdown = book_down->gCurrentDim( index + 2, NR + 1, TwoSRdown, IRdown ); in second_left() 329 int dimRdown = book_down->gCurrentDim( index + 2, NR + 1, TwoSRdown, IRdown ); in second_left() 589 const int IRdown = Irreps::directProd( IR, Rtrans->get_irrep() ); in first_middle() local 604 int dimRdown = book_down->gCurrentDim( index + 2, NR - 1, TwoSRdown, IRdown ); in first_middle() 641 const int IRdown = Irreps::directProd( IR, Rregular->get_irrep() ); in second_middle() local [all …]
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H A D | TensorL.cpp | 71 const int IRdown = Irreps::directProd( IRup, n_irrep ); in create_right() local 76 int dimRdown = bk_down->gCurrentDim( index, NRdown, TwoSRdown, IRdown ); in create_right() 89 IL = IRdown; in create_right() 101 double * Tdown = mps_tensor_down->gStorage( NL, TwoSL, IL, NRdown, TwoSRdown, IRdown ); in create_right() 117 double * Tdown = mps_tensor_down->gStorage( NL, TwoSL, IL, NRdown, TwoSRdown, IRdown ); in create_right()
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H A D | TwoDM.cpp | 998 int IRdown = Irreps::directProd(ILdown, denBK->gIrrep(theindex)); in doD9andD10andD11() local 1007 int dimRdown = denBK->gCurrentDim(theindex+1, NL, TwoSRdown, IRdown); in doD9andD10andD11() 1124 int IRdown = Irreps::directProd(ILdown, denBK->gIrrep(theindex)); in doD13() local 1129 int dimRdown = denBK->gCurrentDim(theindex+1, NL, TwoSLup, IRdown); in doD13() 1136 … double * S0block = S0right->gStorage(NL, TwoSLup, IRdown, NL+2, TwoSLup, ILup); in doD13() 1236 int IRdown = Irreps::directProd(ILdown, denBK->gIrrep(theindex)); in doD15() local 1242 int dimRdown = denBK->gCurrentDim(theindex+1, NL, TwoSRdown, IRdown); in doD15() 1353 int IRdown = Irreps::directProd(ILdown, denBK->gIrrep(theindex)); in doD17orD21() local 1359 int dimRdown = denBK->gCurrentDim(theindex+1, NL, TwoSLup, IRdown); in doD17orD21() 1469 int IRdown = Irreps::directProd(ILdown, denBK->gIrrep(theindex)); in doD19orD23() local [all …]
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H A D | TensorX.cpp | 277 int NRup,TwoSRup,IRup,NRdown,TwoSRdown,IRdown; in addTermQLLeft() local 285 IRdown = Irreps::directProd( sector_irrep_up[ikappa] , bk_up->gIrrep(index) ); in addTermQLLeft() 293 IRdown = Irreps::directProd( sector_irrep_up[ikappa] , bk_up->gIrrep(index) ); in addTermQLLeft() 301 IRdown = sector_irrep_up[ikappa]; in addTermQLLeft() 309 IRdown = sector_irrep_up[ikappa]; in addTermQLLeft() 313 int dimRdown = bk_up->gCurrentDim(index+1, NRdown, TwoSRdown, IRdown); in addTermQLLeft() 317 …ctor_nelec_up[ikappa], sector_spin_up[ikappa], sector_irrep_up[ikappa], NRdown, TwoSRdown, IRdown); in addTermQLLeft() 318 …prev->gStorage(NRup, TwoSRup, IRup, NRdown, TwoSRdown, IRdown); in addTermQLLeft() 340 … double * BlockL = Lprev[loca-index-1]->gStorage(NRup, TwoSRup, IRup, NRdown, TwoSRdown, IRdown); in addTermQLLeft()
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