Updated Antique function calls to 0.15

updated Antique function calls to 0.15

Author: MartinMikkelsen

Project.toml

@@ -14,7 +14,7 @@ RecipesBase = "3cdcf5f2-1ef4-517c-9805-6587b60abb01"
 SpecialFunctions = "276daf66-3868-5448-9aa4-cd146d93841b"
 
 [compat]
-Antique = "0.12.0"
+Antique = "0.15"
 Aqua = "0.8.13"
 ExplicitImports = "1.15.0"
 FewBodyHamiltonians = "0.0.2"

docs/Project.toml

@@ -9,7 +9,7 @@ Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80"
 FewBodyECG = {path = ".."}
 
 [compat]
-Antique = "0.12.0"
+Antique = "0.15"
 Documenter = "1"
 DocumenterCitations = "1"
 Plots = "1.39.0"

docs/src/examples.md

@@ -15,7 +15,7 @@ ps = Antique.CoulombTwoBody(
     z₁ = 1, z₂ = -1, m₁ = 1.0, m₂ = 1.0, mₑ = 1.0, a₀ = 1.0, Eₕ = 1.0, ħ = 1.0
 )
 
-exact = Antique.E(ps, n = 1)
+exact = Antique.energy(ps, n = 1)
 sol = solve(H, SVM(basis = 25, candidates = 20, scale = 1.4))
 
 plot(sol, exact)

docs/src/index.md

@@ -24,7 +24,7 @@ H += "Kinetic"
 H += "Coulomb"
 
 sol = solve(H, DynamicGVM(basis = 10, candidates = 20, scale = 1.0))
-exact = Antique.E(Antique.HydrogenAtom(Z = 1), n = 1)
+exact = Antique.energy(Antique.HydrogenAtom(Z = 1), n = 1)
 println("E0 = ", sol.E₀, " Ha  (Antique ", exact, ", Δ = ", sol.E₀ - exact, ")")
 sol
 ```

examples/benchmark_SVM.jl

@@ -7,7 +7,7 @@ ops = Operators([1.0e15, 1.0], [+1.0, -1.0])
 ops += "Kinetic"
 ops += "Coulomb"
 
-exact = Antique.E(Antique.HydrogenAtom(Z = 1), n = 1)
+exact = Antique.energy(Antique.HydrogenAtom(Z = 1), n = 1)
 
 function run_method(label, alg, ops, exact)
     sol = solve(ops, alg)

examples/benchmark_gradient.jl

@@ -7,7 +7,7 @@ ops = Operators([1.0e15, 1.0], [+1.0, -1.0])
 ops += "Kinetic"
 ops += "Coulomb"
 
-exact = Antique.E(Antique.HydrogenAtom(Z = 1), n = 1)
+exact = Antique.energy(Antique.HydrogenAtom(Z = 1), n = 1)
 
 function run_method(label, alg)
     sol = solve(ops, alg)

examples/hydrogen.jl

@@ -14,9 +14,9 @@ ops += "Kinetic"
 ops += "Coulomb"
 
 H = Antique.HydrogenAtom(Z = 1)
-exact₁ = Antique.E(H, n = 1)
-exact₂ = Antique.E(H, n = 2)
-exact₃ = Antique.E(H, n = 3)
+exact₁ = Antique.energy(H, n = 1)
+exact₂ = Antique.energy(H, n = 2)
+exact₃ = Antique.energy(H, n = 3)
 
 sol = solve(ops, DynamicGVM(basis = 10, candidates = 20, scale = 1.0))
 println("1s energy: ", sol.E₀, " Ha  (Antique ", exact₁, ", Δ = ", sol.E₀ - exact₁, ")")
@@ -65,7 +65,7 @@ states = (("1s", 1, 0), ("2s", 2, 0), ("2p", 2, 1), ("3d", 3, 2))
 rs = range(0.0, 12.0, length = 400)
 
 function antique_density(n, l)
-    density = [r^2 * abs2(Antique.ψ(H, r, 0.0, 0.0; n = n, l = l, m = 0)) for r in rs]
+    density = [r^2 * abs2(Antique.wavefunction(H, r, 0.0, 0.0; n = n, l = l, m = 0)) for r in rs]
     area = sum((density[i] + density[i + 1]) * (rs[i + 1] - rs[i]) / 2 for i in 1:(length(rs) - 1))
     return density ./ area
 end

examples/positronium.jl

@@ -12,7 +12,7 @@ sol
 ps = Antique.CoulombTwoBody(
     z₁ = 1, z₂ = -1, m₁ = 1.0, m₂ = 1.0, mₑ = 1.0, a₀ = 1.0, Eₕ = 1.0, ħ = 1.0
 )
-exact = Antique.E(ps, n = 1)
+exact = Antique.energy(ps, n = 1)
 println("E0 = ", sol.E₀, " Ha  (Antique ", exact, ", Δ = ", sol.E₀ - exact, ")")
 plot(sol, exact)
 
@@ -22,7 +22,7 @@ rs = range(1.0e-3, 15.0, length = 400)
 p = plot(ψ; coord = 1, rmax = 15.0)
 plot!(
     p, rs,
-    [r^2 * abs2(μ^(-3 / 4) * Antique.ψ(ps, r / sqrt(μ), 0.0, 0.0; n = 1, l = 0, m = 0)) for r in rs];
+    [r^2 * abs2(μ^(-3 / 4) * Antique.wavefunction(ps, r / sqrt(μ), 0.0, 0.0; n = 1, l = 0, m = 0)) for r in rs];
     linestyle = :dash,
     label = "Antique.jl",
 )

test/test_harmonic_oscillator.jl

@@ -24,13 +24,13 @@ using FewBodyECG: build_hamiltonian_matrix, build_overlap_matrix, solve_generali
     ecg_energies, coeffs = solve_generalized_eigenproblem(H, S)
 
     HO = Antique.HarmonicOscillator(k = 1.0, m = 1.0, ℏ = 1.0)
-    @test ecg_energies[1:3] ≈ [Antique.E(HO; n = n) for n in (1, 3, 5)] atol = 1.0e-5
+    @test ecg_energies[1:3] ≈ [Antique.energy(HO; n = n) for n in (1, 3, 5)] atol = 1.0e-5
 
     radius = range(1.0e-4, 6, length = 800)
     ψ = Wavefunction(basis, coeffs[:, 1])
     ecg_wavefunction = [ψ([r]) for r in radius]
     u_ecg = sqrt(4π) .* radius .* ecg_wavefunction
-    u_ref = sqrt(2) .* [Antique.ψ(HO, r; n = 1) for r in radius]
+    u_ref = sqrt(2) .* [Antique.wavefunction(HO, r; n = 1) for r in radius]
     u_ecg .*= sign(dot(u_ecg, u_ref))
     @test maximum(abs.(u_ecg - u_ref)) < 1.0e-3
 end