diff --git a/Hamiltonian.jl b/Hamiltonian.jl index 324346c..83d232c 100644 --- a/Hamiltonian.jl +++ b/Hamiltonian.jl @@ -9,6 +9,9 @@ struct Hamiltonian{T} K_partial::Matrix{Complex{T}} K_diag::Union{CuTensor{Complex{T}},Nothing} K_mixed::Union{CuTensor{Complex{T}},Nothing} + K_partial_1x::Union{Matrix{Complex{T}},Nothing} + K_partial_1y::Union{Matrix{Complex{T}},Nothing} + K_partial_1z::Union{Matrix{Complex{T}},Nothing} Vs::Union{Array{Complex{T}},CuArray{Complex{T}}} hermitian::Bool mode::Hamiltonian_backend @@ -16,25 +19,27 @@ struct Hamiltonian{T} function Hamiltonian{T}(s::system{T}, V_twobody::Function, ϕ::Real, n_image::Int, mode::Hamiltonian_backend) where {T<:Float} @assert mode != gpu_cutensor || CUDA.functional() && CUDA.has_cuda() && CUDA.has_cuda_gpu() "CUDA not available" k = -s.N÷2:s.N÷2-1 - Vs = calculate_Vs(s, V_twobody, convert(T, ϕ), n_image) hermitian = ϕ == 0.0 K_partial = (exp(-im * convert(T, ϕ)) * im / sqrt(2 * s.μ)) .* ∂_1DOF.(Ref(s), k, k') - K_diag = nothing - K_mixed = nothing + K_partial_1x, K_partial_1y, K_partial_1z = sym_reduce(s, K_partial) + Vs = calculate_Vs(s, V_twobody, convert(T, ϕ), n_image) if mode == gpu_cutensor K_diag = CuTensor(CuArray(K_partial * K_partial), ['a', 'A']) K_mixed = CuTensor(CuArray(K_partial), ['a', 'A']) * CuTensor(CuArray(K_partial), ['b', 'B']) Vs = CuArray(Vs) + else + K_diag = nothing + K_mixed = nothing end - return new{T}(s, K_partial, K_diag, K_mixed, Vs, hermitian, mode) + return new{T}(s, K_partial, K_diag, K_mixed, K_partial_1x, K_partial_1y, K_partial_1z, Vs, hermitian, mode) end end -Base.size(H::Hamiltonian, i::Int)::Int = (i == 1 || i == 2) ? H.s.N^(H.s.d * (H.s.n - 1)) : throw(ArgumentError("Hamiltonian only has 2 dimesions")) +Base.size(H::Hamiltonian, i::Int)::Int = (i == 1 || i == 2) ? H.s.N^(H.s.d * (H.s.n - 2)) * H.dim1 : throw(ArgumentError("Hamiltonian only has 2 dimesions")) Base.size(H::Hamiltonian)::Dims{2} = (size(H, 1), size(H, 2)) "Dimensions of a vector to which 'H' can be applied" -vectorDims(H::Hamiltonian)::Dims = tuple(fill(H.s.N, H.s.d * (H.s.n - 1))...) +vectorDims(H::Hamiltonian)::Dims = tuple(H.dim1, fill(H.s.N, H.s.d * (H.s.n - 2))...) "Apply 'H' on 'v' and store the result in 'out' using the 'cpu_tensor' backend" function LinearAlgebra.mul!(out::Array{Complex{T}}, H::Hamiltonian{T}, v::Array{Complex{T}})::Array{Complex{T}} where {T<:Float} @@ -47,18 +52,23 @@ function LinearAlgebra.mul!(out::Array{Complex{T}}, H::Hamiltonian{T}, v::Array{ for dim = 1:H.s.d for coord1 = 1:coords for coord2 = 1:coord1 - i1 = which_index(H.s, dim, coord1) - i2 = which_index(H.s, dim, coord2) - nconList_1 = [-i1, 1] - nconList_2 = [-i2, 2] - nconList_v = copy(nconList_v_template) - if i1 == i2 - nconList_2[1] = 1 + + if coord1 == 1 && coord2 == 1 + else - nconList_v[i1] = 1 + i1 = which_index(H.s, dim, coord1) + i2 = which_index(H.s, dim, coord2) + nconList_1 = [-i1, 1] + nconList_2 = [-i2, 2] + nconList_v = copy(nconList_v_template) + if i1 == i2 + nconList_2[1] = 1 + else + nconList_v[i1] = 1 + end + nconList_v[i2] = 2 + v_new = @ncon((H.K_partial, H.K_partial, v), (nconList_1, nconList_2, nconList_v)) end - nconList_v[i2] = 2 - v_new = @ncon((H.K_partial, H.K_partial, v), (nconList_1, nconList_2, nconList_v)) out = axpy!(1, v_new, out) end end diff --git a/common.jl b/common.jl index aae050d..d55f901 100644 --- a/common.jl +++ b/common.jl @@ -1,4 +1,7 @@ +include("irrep.jl") + Float = Union{Float32,Float64} +@enum rep all A1 "A few-body system defined by its physical parameters" struct system{T} @@ -8,7 +11,22 @@ struct system{T} L::T μ::T - system{T}(d::Int, n::Int, N::Int, L::Real, μ::Real=0.5) where {T<:Float} = new{T}(d, n, N, convert(T, L), convert(T, μ)) + sym::rep + unique_i::Array{Int} + unique_point::Array{Int} + multiplicity::Array{Int} + + function system{T}(d::Int, n::Int, N::Int, L::Real, μ::Real=0.5, sym::rep=all) where {T<:Float} + @assert d == 3 "Only supports 3D" + if sym == all + unique_i, unique_point, multiplicity = calculate_all_data(N) + elseif sym == A1 + unique_i, unique_point, multiplicity = calculate_A1_data(N) + else + throw(ArgumentError("Symmetry not yet implemented")) + end + return new{T}(d, n, N, convert(T, L), convert(T, μ), sym, unique_i, unique_point, multiplicity) + end end norm_square(x::Array{Int})::Int = sum(x .* x) @@ -23,18 +41,27 @@ function ∂_1DOF(s::system{T}, k::Int, l::Int)::Complex{T} where {T<:Float} end "Which index (dimension of the multidimensional array) corresponds to spatial dimension 'dim' and particle 'p'?" -which_index(s::system, dim::Int, p::Int)::Int = (dim - 1) * (s.n - 1) + p +which_index(s::system, dim::Int, p::Int)::Int = (dim - 1) * (s.n - 2) + p + 1 + +"Δk (distance in terms of lattice paramter) between two particles along the given dimension" +function get_k(s::system, i::CartesianIndex, dim::Int, p::Int)::Int + if p == 1 + s.unique_point[i[1], dim] + else + return i[which_index(s, dim, p)] - s.N ÷ 2 - 1 + end +end "Δk (distance in terms of lattice paramter) between two particles along the given dimension" function get_Δk(s::system, i::CartesianIndex, dim::Int, p1::Int, p2::Int)::Int if p1 == p2 return 0 elseif p1 == s.n - return -(i[which_index(s, dim, p2)] - s.N ÷ 2 - 1) + return -get_k(s, i, dim, p2) elseif p2 == s.n - return i[which_index(s, dim, p1)] - s.N ÷ 2 - 1 + return get_k(s, i, dim, p1) else - return i[which_index(s, dim, p1)] - i[which_index(s, dim, p2)] + return get_k(s, i, dim, p1) - get_k(s, i, dim, p2) end end @@ -42,7 +69,7 @@ end function calculate_Vs(s::system{T}, V_twobody::Function, ϕ::T, n_image::Int)::Array{Complex{T}} where {T<:Float} coeff² = (exp(im * ϕ) * s.L / s.N)^2 images = collect.(Iterators.product(fill(-n_image:n_image, s.d)...)) # TODO: Learn how to use tuples instead of vectors - Vs = zeros(Complex{T}, fill(s.N, s.d * (s.n - 1))...) + Vs = zeros(Complex{T}, length(s.unique_i), fill(s.N, s.d * (s.n - 2))...) Threads.@threads for i in CartesianIndices(Vs) for p1 in 1:s.n for p2 in (p1 + 1):s.n diff --git a/irrep.jl b/irrep.jl index 249d19f..d1a4935 100644 --- a/irrep.jl +++ b/irrep.jl @@ -1,9 +1,18 @@ -using DelimitedFiles -rotations = readdlm("rotations.mat", ',', Int, '\n') -rotations = reshape(rotations, (24, 3, 3)) +using DelimitedFiles, LinearAlgebra, StatsBase -function get_A1_labels(N::Int) - rotations = readdlm("rotations.csv", ',', Int, '\n') +function calculate_all_data(N::Int) + ks = -N÷2:N÷2-1 + lattice = hcat((collect.(Iterators.product(ks, ks, ks)))...) + + unique_i = collect(1:N^3) + multiplicity = fill(1, length(unique_i)) + unique_point = transpose(lattice) + + return unique_i, unique_point, multiplicity +end + +function calculate_A1_data(N::Int) + rotations = readdlm("rotations.mat", ',', Int, '\n') rotations = reshape(rotations, (24, 3, 3)) ks = -N÷2:N÷2-1 @@ -25,9 +34,42 @@ function get_A1_labels(N::Int) end end - return labels + unique_i = unique(labels) + multiplicity = countmap(labels) + unique_point = transpose(lattice[unique_i, :]) + + return unique_i, unique_point, multiplicity end -function sym_reduce(N::Int, K_full) - +function sym_reduce(s, 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_z = kron(kron(I, I), K_partial) + +# for s in 1:N^3 +# if labels[s] != s +# for mat in (K_partial_x, K_partial_y, K_partial_z) +# mat[labels[s], :] += mat[s, :] +# mat[s, :] = 0 +# mat[:, labels[s]] += mat[:, s] +# mat[:, s] = 0 +# end +# end +# end + + for i in s.unique_i + K_partial_x[i, :] *= s.multiplicity[i] + K_partial_x[:, i] *= s.multiplicity[i] + K_partial_y[i, :] *= s.multiplicity[i] + K_partial_y[:, i] *= s.multiplicity[i] + K_partial_z[i, :] *= s.multiplicity[i] + K_partial_z[:, i] *= s.multiplicity[i] + end + + K_partial_x = K_partial_x[s.unique_i, s.unique_i] + K_partial_y = K_partial_y[s.unique_i, s.unique_i] + K_partial_z = K_partial_z[s.unique_i, s.unique_i] + + return K_partial_x, K_partial_y, K_partial_z end \ No newline at end of file diff --git a/testing-irrep.ipynb b/testing-irrep.ipynb new file mode 100644 index 0000000..5fcb587 --- /dev/null +++ b/testing-irrep.ipynb @@ -0,0 +1,49 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "include(\"Hamiltonian.jl\")\n", + "\n", + "println(\"Running with \",Threads.nthreads(),\" thread(s)\")\n", + "\n", + "T=Float32\n", + "\n", + "function V_test(r2)\n", + " return -4*exp(-r2/4)\n", + "end\n", + "\n", + "n = 2\n", + "N = 16\n", + "println(\"\\n$n-body system with N=$N\")\n", + "\n", + "for L::T in 5.0:9.0\n", + " print(\"L=$L\")\n", + " s=system{T}(3,n,N,L,0.5,all)\n", + " @time H=Hamiltonian{T}(s,V_test,0,0,cpu_tensor)\n", + " #evals,_,_ = eig(H,5)\n", + " #println(real.(evals))\n", + "end" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Julia 1.9.0", + "language": "julia", + "name": "julia-1.9" + }, + "language_info": { + "file_extension": ".jl", + "mimetype": "application/julia", + "name": "julia", + "version": "1.9.0" + }, + "orig_nbformat": 4 + }, + "nbformat": 4, + "nbformat_minor": 2 +}