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Two operators for 1st and 2nd time (incorrect)

This commit is contained in:
ysyapa 2023-08-31 23:34:05 +00:00
parent b79c57d7db
commit 14e40273c9
2 changed files with 23 additions and 13 deletions
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7
Hamiltonian.jl
View File

@ -10,6 +10,7 @@ struct Hamiltonian{T}
K_diag::Union{CuTensor{Complex{T}},Nothing} K_diag::Union{CuTensor{Complex{T}},Nothing}
K_mixed::Union{CuTensor{Complex{T}},Nothing} K_mixed::Union{CuTensor{Complex{T}},Nothing}
K_partial_1::Union{Tuple,Nothing} K_partial_1::Union{Tuple,Nothing}
K_partial_2::Union{Tuple,Nothing}
Vs::Union{Array{Complex{T}},CuArray{Complex{T}}} Vs::Union{Array{Complex{T}},CuArray{Complex{T}}}
hermitian::Bool hermitian::Bool
mode::Hamiltonian_backend mode::Hamiltonian_backend
@ -19,7 +20,7 @@ struct Hamiltonian{T}
k = -s.N÷2:s.N÷2-1 k = -s.N÷2:s.N÷2-1
hermitian = ϕ == 0.0 hermitian = ϕ == 0.0
K_partial = (exp(-im * convert(T, ϕ)) * im / sqrt(2 * s.μ)) .* ∂_1DOF.(Ref(s), k, k') K_partial = (exp(-im * convert(T, ϕ)) * im / sqrt(2 * s.μ)) .* ∂_1DOF.(Ref(s), k, k')
K_partial_1 = sym_reduce(s, K_partial) K_partial_1, K_partial_2 = sym_reduce(s, K_partial)
Vs = calculate_Vs(s, V_twobody, convert(T, ϕ), n_image) Vs = calculate_Vs(s, V_twobody, convert(T, ϕ), n_image)
if mode == gpu_cutensor if mode == gpu_cutensor
K_diag = CuTensor(CuArray(K_partial * K_partial), ['a', 'A']) K_diag = CuTensor(CuArray(K_partial * K_partial), ['a', 'A'])
@ -29,7 +30,7 @@ struct Hamiltonian{T}
K_diag = nothing K_diag = nothing
K_mixed = nothing K_mixed = nothing
end end
return new{T}(s, K_partial, K_diag, K_mixed, K_partial_1, Vs, hermitian, mode) return new{T}(s, K_partial, K_diag, K_mixed, K_partial_1, K_partial_2, Vs, hermitian, mode)
end end
end end
@ -62,7 +63,7 @@ function LinearAlgebra.mul!(out::Array{Complex{T}}, H::Hamiltonian{T}, v::Array{
nconList_v[i2] = 2 nconList_v[i2] = 2
tensor1 = coord1 == 1 ? H.K_partial_1[dim] : H.K_partial tensor1 = coord1 == 1 ? H.K_partial_1[dim] : H.K_partial
tensor2 = coord2 == 1 ? H.K_partial_1[dim] : H.K_partial tensor2 = coord2 == 1 ? H.K_partial_2[dim] : H.K_partial
v_new = @ncon((tensor1, tensor2, v), (nconList_1, nconList_2, nconList_v)) v_new = @ncon((tensor1, tensor2, v), (nconList_1, nconList_2, nconList_v))
out = axpy!(1, v_new, out) out = axpy!(1, v_new, out)

29
irrep.jl
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@ -44,21 +44,30 @@ end
function sym_reduce(s, K_partial) function sym_reduce(s, K_partial)
I = one(K_partial) I = one(K_partial)
K_partial_x = kron(kron(K_partial, I), I)
K_partial_y = kron(kron(I, K_partial), I) K_partial_x1 = kron(kron(K_partial, I), I)
K_partial_z = kron(kron(I, I), K_partial) K_partial_y1 = kron(kron(I, K_partial), I)
K_partial_z1 = kron(kron(I, I), K_partial)
K_partial_x2 = kron(kron(K_partial, I), I)
K_partial_y2 = kron(kron(I, K_partial), I)
K_partial_z2 = kron(kron(I, I), K_partial)
for (i, label) in enumerate(s.labels) for (i, label) in enumerate(s.labels)
if i != label if i != label
K_partial_x[:, i] += K_partial_x[:, label] K_partial_x2[:, i] .+= K_partial_x2[:, label]
K_partial_y[:, i] += K_partial_y[:, label] K_partial_y2[:, i] .+= K_partial_y2[:, label]
K_partial_z[:, i] += K_partial_z[:, label] K_partial_z2[:, i] .+= K_partial_z2[:, label]
end end
end end
K_partial_x = K_partial_x[s.unique_i, s.unique_i] K_partial_x1 = K_partial_x1[s.unique_i, :]
K_partial_y = K_partial_y[s.unique_i, s.unique_i] K_partial_y1 = K_partial_y1[s.unique_i, :]
K_partial_z = K_partial_z[s.unique_i, s.unique_i] K_partial_z1 = K_partial_z1[s.unique_i, :]
return K_partial_x, K_partial_y, K_partial_z K_partial_x2 = K_partial_x2[:, s.unique_i]
K_partial_y2 = K_partial_y2[:, s.unique_i]
K_partial_z2 = K_partial_z2[:, s.unique_i]
return (K_partial_x1, K_partial_y1, K_partial_z1), (K_partial_x2, K_partial_y2, K_partial_z2)
end end