/dports/science/qmcpack/qmcpack-3.11.0/src/AFQMC/Hamiltonians/ |
H A D | KPFactorizedHamiltonian.cpp | 61 using shmSpMatrix = boost::multi::array<SPComplexType, 2, shared_allocator<SPComplexType>>; in getHamiltonianOperations_shared() typedef 233 std::vector<shmSpMatrix> LQKikn; in getHamiltonianOperations_shared() 240 LQKikn.emplace_back(shmSpMatrix({1, 1}, shared_allocator<SPComplexType>{TG.Node()})); in getHamiltonianOperations_shared() 339 std::vector<shmSpMatrix> LQKank; in getHamiltonianOperations_shared() 384 std::vector<shmSpMatrix> LQKbnl; in getHamiltonianOperations_shared() 965 std::vector<shmSpMatrix> LQKikn; in getHamiltonianOperations_batched() 972 LQKikn.emplace_back(shmSpMatrix({1, 1}, shared_allocator<SPComplexType>{distNode})); in getHamiltonianOperations_batched() 1085 std::vector<shmSpMatrix> LQKank; in getHamiltonianOperations_batched() 1112 std::vector<shmSpMatrix> LQKakn; in getHamiltonianOperations_batched() 1138 std::vector<shmSpMatrix> LQKbnl; in getHamiltonianOperations_batched() [all …]
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H A D | KPTHCHamiltonian.cpp | 45 using shmSpMatrix = boost::multi::array<SPComplexType, 2, shared_allocator<SPComplexType>>; in getHamiltonianOperations() typedef 249 std::vector<shmSpMatrix> LQGun; in getHamiltonianOperations() 251 shmSpMatrix Piu({nmo_tot, nmu}, shared_allocator<SPComplexType>{TG.Node()}); in getHamiltonianOperations() 257 std::vector<shmSpMatrix> rotMuv; in getHamiltonianOperations() 259 shmSpMatrix rotPiu({nmo_tot, rotnmu}, shared_allocator<SPComplexType>{TG.Node()}); in getHamiltonianOperations() 407 std::vector<shmSpMatrix> cPua; in getHamiltonianOperations() 409 std::vector<shmSpMatrix> rotcPua; in getHamiltonianOperations() 420 cPua.emplace_back(shmSpMatrix({nmu, nel.first}, shared_allocator<SPComplexType>{TG.Node()})); in getHamiltonianOperations() 709 std::vector<shmSpMatrix> LQKikn; in getHamiltonianOperations() 818 std::vector<shmSpMatrix> LQKank; in getHamiltonianOperations() [all …]
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H A D | KPTHCHamiltonian.h | 27 using shmSpMatrix = boost::multi::array<SPComplexType, 2, shared_allocator<SPComplexType>>;
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H A D | rotateHamiltonian.hpp | 179 using shmSpMatrix = SPComplexMatrix<shared_allocator<SPComplexType>>; in rotateHijkl() typedef 270 shmSpMatrix Qk({dummy_nrow, dummy_ncol}, shared_allocator<SPComplexType>{TG.Node()}); in rotateHijkl() 277 shmSpMatrix Rl({dummy_ncol, dummy_nrow}, shared_allocator<SPComplexType>{TG.Node()}); in rotateHijkl() 750 using shmSpMatrix = SPComplexMatrix<shared_allocator<SPComplexType>>; in rotateHijkl_single_node() typedef 756 shmSpMatrix Qk({nx * NMO * NEL, nx * nvec}, shared_allocator<SPComplexType>{TG.Node()}); in rotateHijkl_single_node() 762 shmSpMatrix Rl({nvec, NMO * NEL}, shared_allocator<SPComplexType>{TG.Node()}); in rotateHijkl_single_node()
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H A D | KPFactorizedHamiltonian.h | 28 using shmSpMatrix = boost::multi::array<SPComplexType, 2, shared_allocator<SPComplexType>>;
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H A D | RealDenseHamiltonian.cpp | 50 using shmSpMatrix = boost::multi::array<SPComplexType, 2, shared_allocator<SPComplexType>>; in getHamiltonianOperations() typedef 209 shmSpMatrix Lakn({nrow * NMO, local_ncv}, shared_allocator<SPComplexType>{distNode}); in getHamiltonianOperations()
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H A D | RealDenseHamiltonian_v2.cpp | 48 using shmSpMatrix = boost::multi::array<SPComplexType, 2, shared_allocator<SPComplexType>>; in getHamiltonianOperations() typedef
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/dports/science/qmcpack/qmcpack-3.11.0/src/AFQMC/HamiltonianOperations/ |
H A D | KP3IndexFactorizationIO.hpp | 48 using shmSpMatrix = boost::multi::array<SPComplexType, 2, shared_allocator<SPComplexType>>; in loadKP3IndexFactorization() typedef 201 std::vector<shmSpMatrix> LQKikn; in loadKP3IndexFactorization() 206 …shmSpMatrix({nkpts, nmo_max * nmo_max * nchol_per_kp[Q]}, shared_allocator<SPComplexType>{TGwfn.No… in loadKP3IndexFactorization() 209 …shmSpMatrix({nkpts / 2, nmo_max * nmo_max * nchol_per_kp[Q]}, shared_allocator<SPComplexType>{TGwf… in loadKP3IndexFactorization() 212 …shmSpMatrix({nkpts, nmo_max * nmo_max * nchol_per_kp[Q]}, shared_allocator<SPComplexType>{TGwfn.No… in loadKP3IndexFactorization() 214 LQKikn.emplace_back(shmSpMatrix({1, 1}, shared_allocator<SPComplexType>{TGwfn.Node()})); in loadKP3IndexFactorization() 300 std::vector<shmSpMatrix> LQKank; in loadKP3IndexFactorization() 311 … LQKank.emplace_back(shmSpMatrix({nkpts, ank_max}, shared_allocator<ComplexType>{TGwfn.Node()})); in loadKP3IndexFactorization() 317 … LQKank.emplace_back(shmSpMatrix({nkpts, ank_max}, shared_allocator<ComplexType>{TGwfn.Node()})); in loadKP3IndexFactorization() 533 template<class shmIMatrix, class shmC3Tensor, class shmSpMatrix> [all …]
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H A D | KPTHCOps.hpp | 89 shmSpMatrix&& piu_, in KPTHCOps() 94 std::vector<shmSpMatrix>&& vik, in KPTHCOps() 1023 std::vector<shmSpMatrix> rotMuv; 1026 shmSpMatrix rotPiu; 1029 std::vector<shmSpMatrix> rotcPua; 1034 std::vector<shmSpMatrix> LQGun; 1037 shmSpMatrix Piu; 1040 std::vector<shmSpMatrix> cPua; 1055 shmSpMatrix SM_TMats; 1072 std::vector<shmSpMatrix> LQKikn; [all …]
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H A D | KP3IndexFactorization_batched.hpp | 109 using shmSpMatrix = SPComplexMatrix<SpAllocator_shared>; typedef in qmcplusplus::afqmc::KP3IndexFactorization_batched 160 LQKikn(std::move(move_vector<shmSpMatrix>(std::move(vik)))), in KP3IndexFactorization_batched() 165 LQKakn(std::move(move_vector<shmSpMatrix>(std::move(vakn)))), in KP3IndexFactorization_batched() 166 LQKbnl(std::move(move_vector<shmSpMatrix>(std::move(vbl)))), in KP3IndexFactorization_batched() 167 LQKbln(std::move(move_vector<shmSpMatrix>(std::move(vbln)))), in KP3IndexFactorization_batched() 1527 std::vector<shmSpMatrix> LQKikn; in getOneBodyPropagatorMatrix() 1534 std::vector<shmSpMatrix> LQKakn; in getOneBodyPropagatorMatrix() 1537 std::vector<shmSpMatrix> LQKbnl; in getOneBodyPropagatorMatrix() 1540 std::vector<shmSpMatrix> LQKbln; in getOneBodyPropagatorMatrix()
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H A D | KP3IndexFactorization.hpp | 65 using shmSpMatrix = boost::multi::array<SPComplexType, 2, shared_allocator<SPComplexType>>; typedef in qmcplusplus::afqmc::KP3IndexFactorization 84 std::vector<shmSpMatrix>&& vik, in KP3IndexFactorization() 85 std::vector<shmSpMatrix>&& vak, in KP3IndexFactorization() 86 std::vector<shmSpMatrix>&& vbl, in KP3IndexFactorization() 1618 std::vector<shmSpMatrix> LQKikn; in getOneBodyPropagatorMatrix() 1621 std::vector<shmSpMatrix> LQKank; in getOneBodyPropagatorMatrix() 1624 std::vector<shmSpMatrix> LQKbnl; in getOneBodyPropagatorMatrix() 1645 shmSpMatrix SM_TMats; in getOneBodyPropagatorMatrix()
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