mo8it/ReCo.jl
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Added radial distribution function

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Mo8it 2022-01-24 20:43:37 +01:00
parent 6cbc855e45
commit 3e02920067
10 changed files with 481 additions and 202 deletions
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29
graphics/common_CairoMakie.jl Normal file
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@ -0,0 +1,29 @@
function init_cairomakie!()
CairoMakie.activate!()
set_theme!()
return nothing
end
function gen_figure(; padding=4)
text_width_in_pt = 405
return Figure(;
resolution=(text_width_in_pt, 0.55 * text_width_in_pt),
fontsize=10,
figure_padding=padding,
)
end
function set_gaps!(fig::Figure)
colgap!(fig.layout, 5)
rowgap!(fig.layout, 5)
return nothing
end
function save_fig(filename::String, fig::Figure, parent_dir="exports/graphics")
mkpath(parent_dir)
return save("$parent_dir/$filename", fig; pt_per_unit=1)
end

51
graphics/pontential.jl
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@ -1,6 +1,8 @@
using CairoMakie
using LaTeXStrings: @L_str
includet("common_CairoMakie.jl")
const minimum_r_σ_ratio = 2^(1 / 6)
function U_LJ_ϵ_ratio(r_σ_ratio::Real)
@ -16,36 +18,41 @@ function U_WCA_ϵ_ratio(r_σ_ratio::Real)
end
end
text_width_in_pt = 405
function plot_potentials()
init_cairomakie!()
fig = Figure(;
resolution=(text_width_in_pt, 0.55 * text_width_in_pt), fontsize=10, figure_padding=1
)
fig = gen_figure()
max_x = 2.5
max_x = 2.5
max_y = 1.05
min_y = -max_y
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))
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)
r_σ_ratio = LinRange(0.95, max_x, 1000)
LJ = lines!(ax, r_σ_ratio, U_LJ_ϵ_ratio.(r_σ_ratio))
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))
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
)
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}"],
)
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)
set_gaps!(fig)
save("exports/graphics/potential.pdf", fig; pt_per_unit=1)
save_fig("potential.pdf", fig)
return nothing
end