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2 changes: 1 addition & 1 deletion dev/.documenter-siteinfo.json
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{"documenter":{"julia_version":"1.9.3","generation_timestamp":"2023-10-23T07:41:52","documenter_version":"1.1.1"}}
{"documenter":{"julia_version":"1.9.3","generation_timestamp":"2023-10-23T07:43:54","documenter_version":"1.1.1"}}
4 changes: 2 additions & 2 deletions dev/API.html

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78 changes: 39 additions & 39 deletions dev/Accuracy-22557a30.svg → dev/Accuracy-ba25c58c.svg
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2 changes: 1 addition & 1 deletion dev/Accuracy.html
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The pressure = 0.58613053 with M = 100000 gridpoints.</code></pre><p>We can see that the method has well-behaved second order convergence, and that with <span>$M=10^4$</span>, we get almost 6 digits of relative accuracy.</p><pre><code class="language-julia hljs">η = ρ/6*π
p_exact = (1+2η+3η^2)/(1-η)^2-1.0
scatter(M_array, abs.(p.-p_exact)./p_exact)
plot!(ylabel=&quot;relative error&quot;, xlabel=&quot;M&quot;, xscale=:log, yscale=:log)</code></pre><img src="Accuracy-22557a30.svg" alt="Example block output"/><p>In principle, these results can be extrapolated to improve the accuracy further.</p></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="OtherDimensions.html">« Other dimensions</a><a class="docs-footer-nextpage" href="ThermodynamicConsistency.html">Thermodynamic Consistency »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="auto">Automatic (OS)</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.1.1 on <span class="colophon-date" title="Monday 23 October 2023 07:41">Monday 23 October 2023</span>. Using Julia version 1.9.3.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
plot!(ylabel=&quot;relative error&quot;, xlabel=&quot;M&quot;, xscale=:log, yscale=:log)</code></pre><img src="Accuracy-ba25c58c.svg" alt="Example block output"/><p>In principle, these results can be extrapolated to improve the accuracy further.</p></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="OtherDimensions.html">« Other dimensions</a><a class="docs-footer-nextpage" href="ThermodynamicConsistency.html">Thermodynamic Consistency »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="auto">Automatic (OS)</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.1.1 on <span class="colophon-date" title="Monday 23 October 2023 07:43">Monday 23 October 2023</span>. Using Julia version 1.9.3.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
6 changes: 3 additions & 3 deletions dev/Closures.html

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4 changes: 2 additions & 2 deletions dev/ExtendingClosures.html
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closure = MyHNC()
sol = solve(system, closure)
using Plots
plot(sol.r, sol.gr, xlims=(0,5), xlabel=&quot;r&quot;, ylabel=&quot;g(r)&quot;)</code></pre><img src="ExtendingClosures-4819516b.svg" alt="Example block output"/><p>which can be compared to that of <a href="SingleCompLJ.html#First-steps">First steps</a>.</p><h2 id="Mixtures"><a class="docs-heading-anchor" href="#Mixtures">Mixtures</a><a id="Mixtures-1"></a><a class="docs-heading-anchor-permalink" href="#Mixtures" title="Permalink"></a></h2><p>In the case of multicomponent systems, instead of a number the function that is overloaded should return a <code>StaticMatrix</code> containing either values for <span>$c_{ij}$</span> or <span>$b_{ij}$</span>. Since, in that case also the inputs are <code>StaticMatrix</code>, we can make use of <code>Julia</code>&#39;s broadcasting syntax to perform an closure elementwise. </p><pre><code class="language-julia hljs">import OrnsteinZernike.closure_c_from_gamma
plot(sol.r, sol.gr, xlims=(0,5), xlabel=&quot;r&quot;, ylabel=&quot;g(r)&quot;)</code></pre><img src="ExtendingClosures-40c93170.svg" alt="Example block output"/><p>which can be compared to that of <a href="SingleCompLJ.html#First-steps">First steps</a>.</p><h2 id="Mixtures"><a class="docs-heading-anchor" href="#Mixtures">Mixtures</a><a id="Mixtures-1"></a><a class="docs-heading-anchor-permalink" href="#Mixtures" title="Permalink"></a></h2><p>In the case of multicomponent systems, instead of a number the function that is overloaded should return a <code>StaticMatrix</code> containing either values for <span>$c_{ij}$</span> or <span>$b_{ij}$</span>. Since, in that case also the inputs are <code>StaticMatrix</code>, we can make use of <code>Julia</code>&#39;s broadcasting syntax to perform an closure elementwise. </p><pre><code class="language-julia hljs">import OrnsteinZernike.closure_c_from_gamma
function OrnsteinZernike.closure_c_from_gamma(::MyHNC, _, mayer_f, γ, _)
return @. (mayer_f + 1) * exp(γ) - γ - 1 # note the @.
end</code></pre></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="ExtendingPotentials.html">« Defining your own potentials</a><a class="docs-footer-nextpage" href="API.html">API »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="auto">Automatic (OS)</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.1.1 on <span class="colophon-date" title="Monday 23 October 2023 07:41">Monday 23 October 2023</span>. Using Julia version 1.9.3.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
end</code></pre></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="ExtendingPotentials.html">« Defining your own potentials</a><a class="docs-footer-nextpage" href="API.html">API »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="auto">Automatic (OS)</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.1.1 on <span class="colophon-date" title="Monday 23 October 2023 07:43">Monday 23 October 2023</span>. Using Julia version 1.9.3.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
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4 changes: 2 additions & 2 deletions dev/ExtendingPotentials.html
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closure = HypernettedChain()
sol = solve(system, closure)
using Plots
plot(sol.r, sol.gr, xlims=(0,5), xlabel=&quot;r&quot;, ylabel=&quot;g(r)&quot;)</code></pre><img src="ExtendingPotentials-1490660e.svg" alt="Example block output"/><h2 id="Mixtures"><a class="docs-heading-anchor" href="#Mixtures">Mixtures</a><a id="Mixtures-1"></a><a class="docs-heading-anchor-permalink" href="#Mixtures" title="Permalink"></a></h2><p>In the case of multicomponent systems, instead of a number the function should return a <code>StaticMatrix</code> from the <code>StaticArrays</code> package containing values for <span>$u_{ij}$</span>. </p><h3 id="Example-2"><a class="docs-heading-anchor" href="#Example-2">Example</a><a class="docs-heading-anchor-permalink" href="#Example-2" title="Permalink"></a></h3><p>Suppose we want to implement the same potential for the multicomponent case: <span>$u_{ij}(r) = \epsilon_{ij} (\frac{\sigma_{ij}}{r_{ij}})^6.$</span></p><p>While one could implement this in one line with broadcasting, here the function is written out fully for clarity:</p><pre><code class="language-julia hljs">using OrnsteinZernike, StaticArrays
plot(sol.r, sol.gr, xlims=(0,5), xlabel=&quot;r&quot;, ylabel=&quot;g(r)&quot;)</code></pre><img src="ExtendingPotentials-ef6e94fb.svg" alt="Example block output"/><h2 id="Mixtures"><a class="docs-heading-anchor" href="#Mixtures">Mixtures</a><a id="Mixtures-1"></a><a class="docs-heading-anchor-permalink" href="#Mixtures" title="Permalink"></a></h2><p>In the case of multicomponent systems, instead of a number the function should return a <code>StaticMatrix</code> from the <code>StaticArrays</code> package containing values for <span>$u_{ij}$</span>. </p><h3 id="Example-2"><a class="docs-heading-anchor" href="#Example-2">Example</a><a class="docs-heading-anchor-permalink" href="#Example-2" title="Permalink"></a></h3><p>Suppose we want to implement the same potential for the multicomponent case: <span>$u_{ij}(r) = \epsilon_{ij} (\frac{\sigma_{ij}}{r_{ij}})^6.$</span></p><p>While one could implement this in one line with broadcasting, here the function is written out fully for clarity:</p><pre><code class="language-julia hljs">using OrnsteinZernike, StaticArrays

function mypotential(r, p)
# we can construct a mutable sized matrix first
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using Plots
plot(sol.r, sol.gr[:, 1, 1], xlims=(0,5), xlabel=&quot;r&quot;, ylabel=&quot;g(r)&quot;, label=&quot;g11(r)&quot;)
plot!(sol.r, sol.gr[:, 1, 2], xlims=(0,5), xlabel=&quot;r&quot;, ylabel=&quot;g(r)&quot;, label=&quot;g12(r)&quot;)
plot!(sol.r, sol.gr[:, 2, 2], xlims=(0,5), xlabel=&quot;r&quot;, ylabel=&quot;g(r)&quot;, label=&quot;g22(r)&quot;)</code></pre><img src="ExtendingPotentials-d5f3d268.svg" alt="Example block output"/></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="Theory.html">« Theory</a><a class="docs-footer-nextpage" href="ExtendingClosures.html">Defining your own closure »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="auto">Automatic (OS)</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.1.1 on <span class="colophon-date" title="Monday 23 October 2023 07:41">Monday 23 October 2023</span>. Using Julia version 1.9.3.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
plot!(sol.r, sol.gr[:, 2, 2], xlims=(0,5), xlabel=&quot;r&quot;, ylabel=&quot;g(r)&quot;, label=&quot;g22(r)&quot;)</code></pre><img src="ExtendingPotentials-1d0940e2.svg" alt="Example block output"/></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="Theory.html">« Theory</a><a class="docs-footer-nextpage" href="ExtendingClosures.html">Defining your own closure »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="auto">Automatic (OS)</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.1.1 on <span class="colophon-date" title="Monday 23 October 2023 07:43">Monday 23 October 2023</span>. Using Julia version 1.9.3.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
2 changes: 1 addition & 1 deletion dev/FromPython.html
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plt.plot(sol.r, sol.gr)
plt.xlim(0, 5)
plt.show()</code></pre><p><img src="Figs/pythonfig.png" alt="image"/></p><p>See the documentation of <a href="https://pypi.org/project/juliacall/">juliacall</a> for more information on how to call Julia from Python.</p></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="API.html">« API</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="auto">Automatic (OS)</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.1.1 on <span class="colophon-date" title="Monday 23 October 2023 07:41">Monday 23 October 2023</span>. Using Julia version 1.9.3.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
plt.show()</code></pre><p><img src="Figs/pythonfig.png" alt="image"/></p><p>See the documentation of <a href="https://pypi.org/project/juliacall/">juliacall</a> for more information on how to call Julia from Python.</p></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="API.html">« API</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="auto">Automatic (OS)</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.1.1 on <span class="colophon-date" title="Monday 23 October 2023 07:43">Monday 23 October 2023</span>. Using Julia version 1.9.3.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
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