Examples

• Examples

Here is an example of plotting four equations of state in one figure with energy and pressure versus volume.

We can plot these parameters directly using shorthand functions such as energyplot, pressureplot, bulkmodulusplot:

julia> using EquationOfStateRecipes
julia> using EquationsOfStateOfSolids
julia> using Plots
julia> bm = BirchMurnaghan3rd(40.989265727926536, 0.5369258245609575, 4.178644231927682, -10.8428039082991);
julia> m = Murnaghan1st(41.13757924604193, 0.5144967654094419, 3.9123863221667086, -10.836794510844241);
julia> pt = PoirierTarantola3rd(40.86770643567071, 0.5667729960008748, 4.331688934947504, -10.851486685029437);
julia> v = Vinet(40.9168756740098, 0.5493839427843088, 4.3051929493806345, -10.846160810983498);
julia> plot(; legend=true);
julia> bulkmodulusplot!(bm; label="Birch–Murnaghan");
julia> bulkmodulusplot!(bm; label="Murnaghan");
julia> bulkmodulusplot!(pt; label="Poirier–Tarantola");
julia> bulkmodulusplot!(v; label="Vinet");
julia> title!(raw"$B(V)$");qt.qpa.xcb: could not connect to display 
qt.qpa.plugin: Could not load the Qt platform plugin "xcb" in "" even though it was found.
This application failed to start because no Qt platform plugin could be initialized. Reinstalling the application may fix this problem.

Available platform plugins are: minimal, minimalegl, eglfs, offscreen, linuxfb, vnc, xcb.

Aborted (core dumped)
connect: Connection refused
GKS: can't connect to GKS socket application

GKS: Open failed in routine OPEN_WS
GKS: GKS not in proper state. GKS must be either in the state WSOP or WSAC in routine ACTIVATE_WS

Of course, we can construct four equations of state from those parameters and plot them:

julia> bmeos = EnergyEquation(bm);
julia> meos = EnergyEquation(m);
julia> pteos = EnergyEquation(pt);
julia> veos = EnergyEquation(v);
julia> plot(; legend=true);
julia> plot!(bmeos; label="Birch–Murnaghan");
julia> plot!(meos; label="Murnaghan");
julia> plot!(pteos; label="Poirier–Tarantola");
julia> plot!(veos; label="Vinet");
julia> title!(raw"$E(V)$");qt.qpa.xcb: could not connect to display 
qt.qpa.plugin: Could not load the Qt platform plugin "xcb" in "" even though it was found.
This application failed to start because no Qt platform plugin could be initialized. Reinstalling the application may fix this problem.

Available platform plugins are: minimal, minimalegl, eglfs, offscreen, linuxfb, vnc, xcb.

Aborted (core dumped)
connect: Connection refused
GKS: can't connect to GKS socket application

GKS: Open failed in routine OPEN_WS
GKS: GKS not in proper state. GKS must be either in the state WSOP or WSAC in routine ACTIVATE_WS

Or, we can plot subplots with:

julia> colors = palette(:tab10);
julia> labels = ["Birch–Murnaghan", "Murnaghan", "Poirier–Tarantola", "Vinet"];
julia> plt = plot(; layout=(1, 2));
julia> for (params, label, color) in zip((bm, m, pt, v), labels, colors)
           energyplot!(plt, params; label=label, subplot=1, color=color);
           pressureplot!(plt, params; label=label, subplot=2, color=color);
       endqt.qpa.xcb: could not connect to display 
qt.qpa.plugin: Could not load the Qt platform plugin "xcb" in "" even though it was found.
This application failed to start because no Qt platform plugin could be initialized. Reinstalling the application may fix this problem.

Available platform plugins are: minimal, minimalegl, eglfs, offscreen, linuxfb, vnc, xcb.

Aborted (core dumped)
connect: Connection refused
GKS: can't connect to GKS socket application

GKS: Open failed in routine OPEN_WS
GKS: GKS not in proper state. GKS must be either in the state WSOP or WSAC in routine ACTIVATE_WS

Also, we can add units to these equations of state without any difficulty:

julia> using Unitful, UnitfulAtomic
julia> bm = BirchMurnaghan3rd(40.989265727926536u"angstrom^3", 0.5369258245609575u"Ry/angstrom^3", 4.178644231927682, -10.8428039082991u"Ry");
julia> m = Murnaghan1st(41.13757924604193u"angstrom^3", 0.5144967654094419u"Ry/angstrom^3", 3.9123863221667086, -10.836794510844241u"Ry");
julia> pt = PoirierTarantola3rd(40.86770643567071u"angstrom^3", 0.5667729960008748u"Ry/angstrom^3", 4.331688934947504, -10.851486685029437u"Ry");
julia> v = Vinet(40.9168756740098u"angstrom^3", 0.5493839427843088u"Ry/angstrom^3", 4.3051929493806345, -10.846160810983498u"Ry");
julia> plt = plot(energyplot(bm; label="Birch–Murnaghan", yunit=u"eV"), pressureplot(bm; label="Birch–Murnaghan", yunit=u"GPa"));
julia> for (params, label, color) in zip((m, pt, v), labels, colors)
           energyplot!(plt, params; label=label, subplot=1, color=color);
           pressureplot!(plt, params; label=label, subplot=2, color=color);
       endqt.qpa.xcb: could not connect to display 
qt.qpa.plugin: Could not load the Qt platform plugin "xcb" in "" even though it was found.
This application failed to start because no Qt platform plugin could be initialized. Reinstalling the application may fix this problem.

Available platform plugins are: minimal, minimalegl, eglfs, offscreen, linuxfb, vnc, xcb.

Aborted (core dumped)
connect: Connection refused
GKS: can't connect to GKS socket application

GKS: Open failed in routine OPEN_WS
GKS: GKS not in proper state. GKS must be either in the state WSOP or WSAC in routine ACTIVATE_WS