first code

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Jutho 2017-08-08 16:57:20 +02:00
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commit c0f00d5d61
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julia 0.6
julia 0.7-
Primes

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module WignerSymbols
export wigner3j, wigner6j
# package code goes here
include("primefactorization.jl")
const Wigner3j = Dict{NTuple{5,UInt},Tuple{Rational{BigInt},Rational{BigInt}}}()
const Wigner6j = Dict{NTuple{6,UInt},Tuple{Rational{BigInt},Rational{BigInt}}}()
clebschgordan(j₁, m₁, j₂, m₂, j₃, m₃ = m₁+m₂) = clebschgordan(Float64, j₁, m₁, j₂, m₂, j₃, m₃)
function clebschgordan(T::Type{<:AbstractFloat}, j₁, m₁, j₂, m₂, j₃, m₃ = m₁+m₂)
s = wigner3j(T, j₁, j₂, j₃, m₁, m₂, -m₃)
iszero(s) && return s
if isodd(j₁ - j₂ + m₃)
s *= -one(s)
end
s /= sqrt(convert(T, j₃+j₃+1))
return s
end
wigner3j(j₁, j₂, j₃, m₁, m₂, m₃ = -m₂-m₃) = wigner3j(Float64, j₁, j₂, j₃, m₁, m₂, m₃)
function wigner3j(T::Type{<:AbstractFloat}, j₁, j₂, j₃, m₁, m₂, m₃ = -m₂-m₃)
# check angular momenta and triangle condition
if !(δ(j₁, j₂, j₃) && ϵ(j₁, m₁) && ϵ(j₂, m₂) && ϵ(j₃, m₃))
throw(DomainError())
end
iszero(m₁+m₂+m₃) || return zero(T)
# we reorder such that j₁ >= j₂ >= j₃ and m₁ >= 0 or m₁ == 0 && m₂ >= 0
j₁, j₂, j₃, m₁, m₂, m₃, sgn = reorder3j(j₁, j₂, j₃, m₁, m₂, m₃)
# dictionary lookup or compute
if haskey(Wigner3j, (j₁, j₂, j₃, m₁, m₂))
r, s = Wigner3j[(j₁, j₂, j₃, m₁, m₂)]
else
r, s = compute3j(j₁, j₂, j₃, m₁, m₂)
Wigner3j[(j₁, j₂, j₃, m₁, m₂)] = (r,s)
end
return sgn*sqrt(convert(T, r))*convert(T, s)
end
wigner6j(j₁, j₂, j₃, j₄, j₅, j₆) = wigner6j(Float64, j₁, j₂, j₃, j₄, j₅, j₆)
function wigner6j(T::Type{<:AbstractFloat}, j₁, j₂, j₃, j₄, j₅, j₆)
α̂₁ = (j₁, j₂, j₃)
α̂₂ = (j₁, j₅, j₆)
α̂₃ = (j₂, j₄, j₆)
α̂₄ = (j₃, j₄, j₅)
# check triangle conditions
if !(δ(α̂₁...) && δ(α̂₂...) && δ(α̂₃...) && δ(α̂₄...))
throw(DomainError())
end
# reduce
α₁ = convert(UInt, +(α̂₁...))
α₂ = convert(UInt, +(α̂₂...))
α₃ = convert(UInt, +(α̂₃...))
α₄ = convert(UInt, +(α̂₄...))
β₁ = convert(UInt, j₁+j₂+j₄+j₅)
β₂ = convert(UInt, j₁+j₃+j₄+j₆)
β₃ = convert(UInt, j₂+j₃+j₅+j₆)
# we should have αᵢ < βⱼ, ∀ i, j and ∑ᵢ αᵢ = ∑ⱼ βⱼ
# now order them as β₁ >= β₂ >= β₃ >= α₁ >= α₂ >= α₃ >= α₄
(β₁, β₂, β₃, α₁, α₂, α₃, α₄) = reorder6j(β₁, β₂, β₃, α₁, α₂, α₃, α₄)
# dictionary lookup or compute
if haskey(Wigner6j, (β₁, β₂, β₃, α₁, α₂, α₃))
r, s = Wigner6j[(β₁, β₂, β₃, α₁, α₂, α₃)]
else
# order irrelevant: product remains the same under action of reorder6j
Δ₁ = Δ²(α̂₁...)
Δ₂ = Δ²(α̂₂...)
Δ₃ = Δ²(α̂₃...)
Δ₄ = Δ²(α̂₄...)
snum, rnum = splitsquare(Δ₁.num * Δ₂.num * Δ₃.num * Δ₄.num)
sden, rden = splitsquare(Δ₁.den * Δ₂.den * Δ₃.den * Δ₄.den)
s = convert(BigInt, snum) // convert(BigInt, sden)
r = convert(BigInt, rnum) // convert(BigInt, rden)
s *= compute6jseries(β₁, β₂, β₃, α₁, α₂, α₃, α₄)
Wigner6j[(β₁, β₂, β₃, α₁, α₂, α₃)] = (r, s)
end
return sqrt(convert(T, r))*convert(T, s)
end
# check angular momentum
ϵ(j, m) = (abs(m) <= j && isinteger(j-m) && isinteger(j+m))
# check triangle condition
function δ(j₁, j₂, j₃)
j₃ <= j₁ + j₂ || return false
j₁ <= j₂ + j₃ || return false
j₂ <= j₃ + j₁ || return false
isinteger(j₁ + j₂ - j₃) || return false
isinteger(j₁ - j₂ + j₃) || return false
isinteger(j₁ - j₂ - j₃) || return false
return true
end
# squared triangle coefficient
function Δ²(j₁, j₂, j₃)
# also checks the triangle conditions by converting to unsigned integer:
n1 = primefactorial( convert(UInt, + j₁ + j₂ - j₃) )
n2 = primefactorial( convert(UInt, + j₁ - j₂ + j₃) )
n3 = primefactorial( convert(UInt, - j₁ + j₂ + j₃) )
d = primefactorial( convert(UInt, j₁ + j₂ + j₃ + 1) )
# result
return (n1*n2*n3)//d
end
# reorder parameters determining the 3j symbol to canonical order:
# j₁ >= j₂ >= j₃ and m₁ >= 0 or m₁ == 0 && m₂ >= 0
function reorder3j(j₁, j₂, j₃, m₁, m₂, m₃, sgn = one(UInt8))
if j₁ < j₂
return reorder3j(j₂, j₁, j₃, m₁, m₂, m₃, -sign)
elseif j₂ < j₃
return reorder3j(j₁, j₃, j₂, m₁, m₂, m₃, -sign)
elseif m₁ < zero(m₁)
return reorder3j(j₁, j₂, j₃, -m₁, -m₂, -m₃, -sign)
elseif iszero(m₁) && m₂ < zero(m₂)
return reorder3j(j₁, j₂, j₃, -m₁, -m₂, -m₃, -sign)
else
# sign doesn't matter if total J=j₁ + j₂ + j₃ is even
if iseven(j₁ + j₂ + j₃)
sign = one(sign)
end
return (j₁, j₂, j₃, m₁, m₂, m₃, sign)
end
end
# reorder parameters determining the 6j symbol to canonical order:
# β₁ >= β₂ >= β₃ >= α₁ >= α₂ >= α₃ >= α₄
function reorder6j(β₁, β₂, β₃, α₁, α₂, α₃, α₄)
if β₁ < β₂
return reorder6j(β₂, β₁, β₃, α₁, α₂, α₃, α₄)
elseif β₂ < β₃
return reorder6j(β₁, β₃, β₂, α₁, α₂, α₃, α₄)
elseif α₁ < α₂
return reorder6j(β₁, β₂, β₃, α₂, α₁, α₃, α₄)
elseif α₂ < α₃
return reorder6j(β₁, β₂, β₃, α₁, α₃, α₂, α₄)
elseif α₃ < α₄
return reorder6j(β₁, β₂, β₃, α₁, α₂, α₄, α₃)
else
return (β₁, β₂, β₃, α₁, α₂, α₃, α₄)
end
end
function compute3j(j₁, j₂, j₃, m₁, m₂)
m₃ = -m₁ - m₂
α₁ = convert(UInt, j₂ - m₁ - j₃ )
α₂ = convert(UInt, j₁ + m₂ - j₃ )
β₁ = convert(UInt, j₁ + j₂ - j₃ )
β₂ = convert(UInt, j₁ - m₁ )
β₃ = convert(UInt, j₂ + m₂ )
krange = max(α₁,α₂,zero(UInt)):min(β₁,β₂,β₃)
end
# compute the sum appearing in the 6j symbol
function compute6jseries(β₁, β₂, β₃, α₁, α₂, α₃, α₄)
krange = max(α₁,α₂,α₃,α₄):min(β₁,β₂,β₃)
nums = Vector{typeof(snum)}(length(krange))
dens = Vector{typeof(snum)}(length(krange))
for (i, k) in enumerate(krange)
num = iseven(k) ? primefactorial(k+1) : -primefactorial(k+1)
den = primefactorial(k-α₁)*primefactorial(k-α₂)*primefactorial(k-α₃)*
primefactorial(k-α₄)*primefactorial(β₁-k)*primefactorial(β₂-k)*primefactorial(β₃-k)
nums[i], dens[i] = divgcd(num, den)
end
den = commondenominator!(nums, dens)
totalnum = sumlist!(nums)
totalden = convert(BigInt, PrimeFactorization(den))
end
end # module