Float = Union{Float32,Float64} norm_square(x) = sum(x .* x) reducedMass(m1, m2) = 1 / (1/m1 + 1/m2) "A few-body system defined by its physical parameters" struct system{T} d::Int n::Int N::Int L::T μs::Vector{Int} invU::Matrix{Int} function system{T}(d::Int, n::Int, N::Int, L::Real) where {T<:Float} μs = [Int((coord + 1)^2 * reducedMass(coord, 1)) for coord in 1:(n - 1)] # TODO: Optimize invU = Matrix{Int}(undef, n, n - 1) for i in CartesianIndices(invU) if i[1] - 1 == i[2] invU[i] = -i[2] elseif i[1] > i[2] invU[i] = 0 else invU[i] = 1 end end return new{T}(d, n, N, convert(T, L), μs, invU) end end "Eq (46): Partial derivative matrix element for 1 degree of freedom" function ∂_1DOF(s::system{T}, k::Int, l::Int)::Complex{T} where {T<:Float} if k == l return -im * (π / s.L) else return (π / s.L) * (-1)^(k - l) * exp(-im * π * (k - l) / s.N) / sin(π * (k - l) / s.N) end end "Which index (dimension of the multidimensional array) corresponds to spatial dimension 'dim' of coordinate 'coord'?" which_index(s::system, dim::Int, coord::Int)::Int = (dim - 1) * (s.n - 1) + coord "Get the distance to the nearest image of the particle" function nearest(s::system, Δk::Int)::Int # TODO: Optimize while true if Δk >= s.N ÷ 2 Δk -= s.N elseif Δk < -s.N ÷ 2 Δk += s.N else return Δk end end end "Calculate diagonal elements of the V matrix" 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))...) Threads.@threads for i in CartesianIndices(Vs) xs = reshape(collect(Tuple(i)), s.n - 1, s.d) .- (s.N ÷ 2 + 1) rs = s.invU * xs for p1 in 1:s.n for p2 in 1:(p1 - 1) Δk = Array{Int}(undef, s.d) for dim in 1:s.d Δk_temp = Int(rs[p1, dim] - rs[p2, dim]) Δk[dim] = nearest(s, Δk_temp) end for image in images Δk² = norm_square(Δk .- (s.N .* image)) Vs[i] += V_twobody(Δk² * coeff²) end end end end return Vs end