Faster initialization

[ffreyer]

MonteCarlo.jl/src/lattices/lattice_iterators.jl

Lines 65 to 100 in 6ae326e

	function Base.push!(cache::LatticeIteratorCache, key::Dir2SrcTrg, lattice::AbstractLattice, ϵ=1e-6)
	if !haskey(cache.cache, key)
	_positions = positions(lattice)
	wrap = generate_combinations(lattice_vectors(lattice))
	directions = Vector{Float64}[]
	# (src, trg), first index is dir, second index irrelevant
	bonds = [Tuple{Int64, Int64}[] for _ in 1:length(lattice)]
	for origin in 1:length(lattice)
	for (trg, p) in enumerate(_positions)
	d = _positions[origin] .- p .+ wrap[1]
	for v in wrap[2:end]
	new_d = _positions[origin] .- p .+ v
	if directed_norm(new_d, ϵ) + ϵ < directed_norm(d, ϵ)
	d .= new_d
	end
	end
	# The rounding will allow us to use == here
	idx = findfirst(dir -> isapprox(dir, d, atol=ϵ), directions)
	if idx === nothing
	push!(directions, d)
	if length(bonds) < length(directions)
	push!(bonds, Tuple{Int64, Int64}[])
	end
	push!(bonds[length(directions)], (origin, trg))
	else
	push!(bonds[idx], (origin, trg))
	end
	end
	end
	temp = sortperm(directions, by = v -> directed_norm(v, ϵ))
	cache.cache[key] = bonds[temp]
	end
	nothing
	end

MonteCarlo.jl/src/lattices/lattice_iterators.jl

Lines 666 to 688 in 6ae326e

	function directions(lattice::AbstractLattice, ϵ = 1e-6)
	_positions = positions(lattice)
	wrap = generate_combinations(lattice_vectors(lattice))
	directions = Vector{Float64}[]
	for origin in 1:length(lattice)
	for (trg, p) in enumerate(_positions)
	d = _positions[origin] .- p .+ wrap[1]
	for v in wrap[2:end]
	new_d = _positions[origin] .- p .+ v
	if directed_norm(new_d, ϵ) + ϵ < directed_norm(d, ϵ)
	d .= new_d
	end
	end
	idx = findfirst(dir -> isapprox(dir, d, atol=ϵ), directions)
	if idx === nothing
	push!(directions, d)
	end
	end
	end
	# temp = sortperm(directions, by=norm)
	# directions[temp]
	sort!(directions, by = v -> directed_norm(v, ϵ))
	end

These take up a lot of time when generating files. Maybe there is a better way to do this?