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bugfix
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@IlianPihlajamaa
IlianPihlajamaa committed Oct 23, 2023
1 parent 78725aa commit 50d54d4
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3 changes: 2 additions & 1 deletion Project.toml
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Original file line number Diff line number Diff line change
@@ -1,14 +1,15 @@
name = "OrnsteinZernike"
uuid = "51399321-c693-48c0-994d-05e3df0250f2"
authors = ["Ilian Pihlajamaa <[email protected]>"]
version = "0.1.2"
version = "0.1.3"

[deps]
Dierckx = "39dd38d3-220a-591b-8e3c-4c3a8c710a94"
FFTW = "7a1cc6ca-52ef-59f5-83cd-3a7055c09341"
ForwardDiff = "f6369f11-7733-5829-9624-2563aa707210"
Hankel = "74863788-d124-456e-a676-9b76578dd39e"
LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
Roots = "f2b01f46-fcfa-551c-844a-d8ac1e96c665"
SpecialFunctions = "276daf66-3868-5448-9aa4-cd146d93841b"
StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"

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11 changes: 8 additions & 3 deletions src/Thermodynamics.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -217,9 +217,14 @@ function compute_compressibility(sol::OZSolution, system::SimpleLiquid{dims, spe
end

function get_ĉ0(sol::OZSolution, ::SimpleLiquid{dims, species, T1, T2, P}) where {dims, species, T1, T2, P}
spl = Spline1D(sol.r, _eachslice(sol.cr, dims=1).*sol.r.^(dims-1))
ĉ0 = surface_N_sphere(dims)*integrate(spl, zero(eltype(sol.r)), maximum(sol.r))
ĉ0 = zeros(eltype(eltype(sol.ck)), species, species)
for i = 1:species
for j = 1:species
spl = Spline1D(sol.r, sol.cr[:, i, j].*sol.r.^(dims-1))
ĉ0[i,j] = surface_N_sphere(dims)*integrate(spl, zero(eltype(sol.r)), maximum(sol.r))
end
end
return ĉ0
end

# function pressure_inconsystency(system, closure)

2 comments on commit 50d54d4

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Registration pull request created: JuliaRegistries/General/93922

After the above pull request is merged, it is recommended that a tag is created on this repository for the registered package version.

This will be done automatically if the Julia TagBot GitHub Action is installed, or can be done manually through the github interface, or via:

git tag -a v0.1.3 -m "<description of version>" 50d54d4d15640422dc699df438de397a7a9c4c1a
git push origin v0.1.3

Also, note the warning: Version 0.1.3 skips over 0.1.2
This can be safely ignored. However, if you want to fix this you can do so. Call register() again after making the fix. This will update the Pull request.

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