From 1edea1cd1d0e1f1e1a0520e8d82a7b10c2f94ab2 Mon Sep 17 00:00:00 2001
From: Mo8it <mo8it@protonmail.com>
Date: Fri, 21 Jan 2022 02:56:33 +0100
Subject: [PATCH] Potential graphic

---
 graphics/pontential.jl | 51 ++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 51 insertions(+)
 create mode 100644 graphics/pontential.jl

diff --git a/graphics/pontential.jl b/graphics/pontential.jl
new file mode 100644
index 0000000..3de23b4
--- /dev/null
+++ b/graphics/pontential.jl
@@ -0,0 +1,51 @@
+using CairoMakie
+using LaTeXStrings: @L_str
+
+const minimum_r_σ_ratio = 2^(1 / 6)
+
+function U_LJ_ϵ_ratio(r_σ_ratio::Real)
+    σ_r_ratio⁶ = r_σ_ratio^(-6)
+    return 4 * (σ_r_ratio⁶^2 - σ_r_ratio⁶)
+end
+
+function U_WCA_ϵ_ratio(r_σ_ratio::Real)
+    if r_σ_ratio > minimum_r_σ_ratio
+        return zero(r_σ_ratio)
+    else
+        return U_LJ_ϵ_ratio(r_σ_ratio) + 1
+    end
+end
+
+text_width_in_pt = 405
+
+fig = Figure(;
+    resolution=(text_width_in_pt, 0.55 * text_width_in_pt), fontsize=10, figure_padding=1
+)
+
+max_x = 2.5
+
+max_y = 1.05
+min_y = -max_y
+
+ax = Axis(fig[1, 1]; xlabel=L"r/σ", ylabel=L"U/ϵ", limits=(0.88, max_x, min_y, max_y))
+
+r_σ_ratio = LinRange(0.95, max_x, 1000)
+
+LJ = lines!(ax, r_σ_ratio, U_LJ_ϵ_ratio.(r_σ_ratio))
+
+WCA = lines!(ax, r_σ_ratio, U_WCA_ϵ_ratio.(r_σ_ratio))
+
+minimum_r_σ_ratio_line = lines!(
+    ax, [minimum_r_σ_ratio, minimum_r_σ_ratio], [min_y, max_y]; linestyle=:dash, linewidth=1
+)
+
+Legend(
+    fig[1, 2],
+    [LJ, WCA, minimum_r_σ_ratio_line],
+    [L"U_{LJ}", L"U_{WCA}", L"\frac{r}{σ} = 2^{1/6}"],
+)
+
+colgap!(fig.layout, 5)
+rowgap!(fig.layout, 5)
+
+save("exports/graphics/potential.pdf", fig; pt_per_unit=1)
\ No newline at end of file