From 58420d7bb53f934ca10b3ebf477cff6db417c007 Mon Sep 17 00:00:00 2001 From: Shuhei Ohno Date: Mon, 10 Aug 2026 11:08:52 +0900 Subject: [PATCH 1/2] Update Antique.jl test API usage --- test/FDM.jl | 6 +++--- test/Rayleigh-Ritz.jl | 4 ++-- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/test/FDM.jl b/test/FDM.jl index 51f5ea5..a5ce264 100644 --- a/test/FDM.jl +++ b/test/FDM.jl @@ -38,13 +38,13 @@ end # comparison with Antique.jl - HA = Antique.HydrogenAtom(Z=1, mₑ=1.0, a₀=1.0, Eₕ=1.0, ℏ=1.0) + HA = Antique.HydrogenAtom(Z=1, m_e=1.0, a_0=1.0, E_h=1.0, hbar=1.0) println("Energy") println(" i\tnumerical \tanalytical") for i in 1:res.nₘₐₓ numerical = res.E[i] - analytical = Antique.E(HA, n=i) + analytical = Antique.energy(HA, n=i) error = iszero(analytical) ? abs(numerical-analytical) : abs((numerical-analytical)/analytical) acceptance = error < 1e-2 @printf("%3d\t%.9f\t%.9f\t%s\n", i, numerical, analytical, acceptance ? "✔" : "✗") @@ -58,7 +58,7 @@ for i in keys(res.method.R[begin:min(10,length(res.method.R))]) r = res.method.R[i] numerical = abs(res.ψ[i,n]) - analytical = abs(Antique.ψ(HA, r, 0, 0, n=n)) + analytical = abs(Antique.wavefunction(HA, r, 0, 0, n=n)) error = iszero(analytical) ? abs(numerical-analytical) : abs((numerical-analytical)/analytical) acceptance = error < 5e-2 @printf("%3d\t%.1f\t%.9f\t%.9f\t%s\n", i, r, numerical, analytical, acceptance ? "✔" : "✗") diff --git a/test/Rayleigh-Ritz.jl b/test/Rayleigh-Ritz.jl index 6ef5853..d8464c6 100644 --- a/test/Rayleigh-Ritz.jl +++ b/test/Rayleigh-Ritz.jl @@ -58,13 +58,13 @@ @test acceptance # comparison with Antique.jl - HA = Antique.HydrogenAtom(Z=1, mₑ=1.0, a₀=1.0, Eₕ=1.0, ℏ=1.0) + HA = Antique.HydrogenAtom(Z=1, m_e=1.0, a_0=1.0, E_h=1.0, hbar=1.0) println("ψ(r)") println(" r\tnumerical \tanalytical") for r in 0.2:0.1:2.0 numerical = abs(TwoBody.ψ(res, r, n=1)) - analytical = abs(Antique.ψ(HA, r, 0, 0)) + analytical = abs(Antique.wavefunction(HA, r, 0, 0)) error = iszero(analytical) ? abs(numerical-analytical) : abs((numerical-analytical)/analytical) acceptance = error < 1e-2 @printf("%.1f\t%.9f\t%.9f\t%s\n", r, numerical, analytical, acceptance ? "✔" : "✗") From e637444849955c5725aad997883ce841f3fbd223 Mon Sep 17 00:00:00 2001 From: Shuhei Ohno Date: Mon, 10 Aug 2026 11:25:13 +0900 Subject: [PATCH 2/2] Update Antique.jl documentation examples --- docs/src/FDM.md | 14 +++++++------- docs/src/Rayleigh-Ritz.md | 12 ++++++------ docs/src/index.md | 4 ++-- 3 files changed, 15 insertions(+), 15 deletions(-) diff --git a/docs/src/FDM.md b/docs/src/FDM.md index 16352c9..f989334 100644 --- a/docs/src/FDM.md +++ b/docs/src/FDM.md @@ -57,7 +57,7 @@ FDM = FiniteDifferenceMethod( nothing # hide ``` -Solve the eigenvalue problem. You should find reasonable approximations to [the exact eigenvalues](https://ohno.github.io/Antique.jl/stable/HydrogenAtom/#Antique.E-Tuple{HydrogenAtom}-HydrogenAtom): +Solve the eigenvalue problem. You should find reasonable approximations to [the exact eigenvalues](https://ohno.github.io/Antique.jl/stable/HydrogenAtom/#Eigenvalues): ```math \begin{aligned} E_{n=1} &= -0.5,\\ @@ -85,7 +85,7 @@ res = solve(H, FDM, info=0, nₘₐₓ=4) # benchmark import Antique -HA = Antique.HydrogenAtom(Z=1, Eₕ=1.0, a₀=1.0, mₑ=1.0, ℏ=1.0) +HA = Antique.HydrogenAtom(Z=1, E_h=1.0, a_0=1.0, m_e=1.0, hbar=1.0) # energy using Printf @@ -94,7 +94,7 @@ println("------------------------------") println(" n numerical analytical") println("------------------------------") for n in 1:4 - @printf("%2d %+.9f %+.9f\n", n, res.E[n], Antique.E(HA,n=n)) + @printf("%2d %+.9f %+.9f\n", n, res.E[n], Antique.energy(HA,n=n)) end # wave function @@ -119,7 +119,7 @@ for n in 1:4 X = res.method.R Y = 4π * X .^2 .* res.ψ[:,n] .^ 2 scatter!(axis, X, Y, label="TwoBody.jl", markersize=6) - lines!(axis, 0..50, r -> 4π * r^2 * abs(Antique.ψ(HA,r,0,0,n=n))^2, label="Antique.jl", color=:black) + lines!(axis, 0..50, r -> 4π * r^2 * abs(Antique.wavefunction(HA,r,0,0,n=n))^2, label="Antique.jl", color=:black) axislegend(axis, "n = $n", position=:rt, framevisible=false) end save("assets/FDM_HA.svg", fig) # hide @@ -140,7 +140,7 @@ res = solve(H, FDM, info=0, nₘₐₓ=4) # benchmark import Antique -SO = Antique.SphericalOscillator(k=1.0, μ=1.0, ℏ=1.0) +SO = Antique.SphericalOscillator(k=1.0, mu=1.0, hbar=1.0) # energy using Printf @@ -149,7 +149,7 @@ println("------------------------------") println(" n numerical analytical") println("------------------------------") for n in 1:4 - @printf("%2d %+.9f %+.9f\n", n-1, res.E[n], Antique.E(SO,n=n-1)) + @printf("%2d %+.9f %+.9f\n", n-1, res.E[n], Antique.energy(SO,n=n-1)) end # wave function @@ -174,7 +174,7 @@ for n in 1:4 X = res.method.R Y = 4π * X .^2 .* res.ψ[:,n] .^ 2 scatter!(axis, X, Y, label="TwoBody.jl", markersize=6) - lines!(axis, 0..50, r -> 4π * r^2 * abs(Antique.ψ(SO,r,0,0,n=n-1))^2, label="Antique.jl", color=:black) + lines!(axis, 0..50, r -> 4π * r^2 * abs(Antique.wavefunction(SO,r,0,0,n=n-1))^2, label="Antique.jl", color=:black) axislegend(axis, "n = $(n-1)", position=:rt, framevisible=false) end fig diff --git a/docs/src/Rayleigh-Ritz.md b/docs/src/Rayleigh-Ritz.md index bd4c47f..6a6b8fa 100644 --- a/docs/src/Rayleigh-Ritz.md +++ b/docs/src/Rayleigh-Ritz.md @@ -84,7 +84,7 @@ res = solve(H, BS) # benchmark import Antique -HA = Antique.HydrogenAtom(Z=1, Eₕ=1.0, a₀=1.0, mₑ=1.0, ℏ=1.0) +HA = Antique.HydrogenAtom(Z=1, E_h=1.0, a_0=1.0, m_e=1.0, hbar=1.0) # energy using Printf @@ -93,7 +93,7 @@ println("------------------------------") println(" n numerical analytical") println("------------------------------") for n in 1:4 - @printf("%2d %+.9f %+.9f\n", n, res.E[n], Antique.E(HA,n=n)) + @printf("%2d %+.9f %+.9f\n", n, res.E[n], Antique.energy(HA,n=n)) end # wave function @@ -116,7 +116,7 @@ for n in 1:4 ) ) lines!(axis, 0..50, r -> 4π * r^2 * abs(TwoBody.ψ(res,r,n=n))^2, label="TwoBody.jl") - lines!(axis, 0..50, r -> 4π * r^2 * abs(Antique.ψ(HA,r,0,0,n=n))^2, label="Antique.jl", color=:black, linestyle=:dash) + lines!(axis, 0..50, r -> 4π * r^2 * abs(Antique.wavefunction(HA,r,0,0,n=n))^2, label="Antique.jl", color=:black, linestyle=:dash) axislegend(axis, "n = $n", position=:rt, framevisible=false) end fig @@ -138,7 +138,7 @@ res = solve(H, BS) # benchmark import Antique -SO = Antique.SphericalOscillator(k=1.0, μ=1.0, ℏ=1.0) +SO = Antique.SphericalOscillator(k=1.0, mu=1.0, hbar=1.0) # energy using Printf @@ -147,7 +147,7 @@ println("------------------------------") println(" n numerical analytical") println("------------------------------") for n in 1:4 - @printf("%2d %+.9f %+.9f\n", n-1, res.E[n], Antique.E(SO,n=n-1)) + @printf("%2d %+.9f %+.9f\n", n-1, res.E[n], Antique.energy(SO,n=n-1)) end # wave function @@ -170,7 +170,7 @@ for n in 1:4 ) ) lines!(axis, 0..50, r -> 4π * r^2 * abs(TwoBody.ψ(res,r,n=n))^2, label="TwoBody.jl") - lines!(axis, 0..50, r -> 4π * r^2 * abs(Antique.ψ(SO,r,0,0,n=n-1))^2, label="Antique.jl", color=:black, linestyle=:dash) + lines!(axis, 0..50, r -> 4π * r^2 * abs(Antique.wavefunction(SO,r,0,0,n=n-1))^2, label="Antique.jl", color=:black, linestyle=:dash) axislegend(axis, "n = $(n-1)", position=:rt, framevisible=false) end fig diff --git a/docs/src/index.md b/docs/src/index.md index ed36578..e38ea37 100644 --- a/docs/src/index.md +++ b/docs/src/index.md @@ -74,14 +74,14 @@ res = solve(H, BS) # benchmark import Antique -HA = Antique.HydrogenAtom(Z=1, Eₕ=1.0, a₀=1.0, mₑ=1.0, ℏ=1.0) +HA = Antique.HydrogenAtom(Z=1, E_h=1.0, a_0=1.0, m_e=1.0, hbar=1.0) # plot using CairoMakie fig = Figure(size=(420,300), fontsize=11, backgroundcolor=:transparent) axis = Axis(fig[1,1], xlabel=L"$r / a_0$", ylabel=L"$\psi(r) / a_0^{-3/2}$", ylabelsize=16.5, xlabelsize=16.5, limits=(0,4,0,1.1/sqrt(π))) lines!(axis, 0..5, r -> abs(TwoBody.ψ(res,r)), label="TwoBody.jl") -lines!(axis, 0..5, r -> abs(Antique.ψ(HA,r,0,0)), linestyle=:dash, color=:black, label="Antique.jl") +lines!(axis, 0..5, r -> abs(Antique.wavefunction(HA,r,0,0)), linestyle=:dash, color=:black, label="Antique.jl") axislegend(axis, position=:rt, framevisible=false) fig ```