Merge remote-tracking branch 'origin/calculations'

.gitignore

@@ -1,3 +1,6 @@
+# HPC scripts and logs
+hpc/
+
 # Calculation outputs
 *.dat
 *.csv

calculations/3b_bound.jl

@@ -0,0 +1,19 @@
+include("../Hamiltonian.jl")
+mode = cpu_tensor
+T = Float32
+
+V_gauss(r2) = -2 * exp(-r2 / 4)
+
+d = 3
+n = 3
+N = 20
+L = 15
+n_imag = 1
+ϕ = 0
+
+s = system{T}(d, n, N, L)
+H = Hamiltonian{T}(s, V_gauss, ϕ, n_imag, mode)
+@time evals, _, info = eig(H, 5)
+
+print(info.numops, " operations")
+display(evals)

calculations/3b_res_from_paper.jl

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+# 10.1007/s00601-020-01550-8
+# Fig. 7
+# E_R = 4.18(8)
+
+#./En.run -d 3 -n 3 -N 16 -c pot=v_shifted_gauss,v0=2.0,r=1.5,a=3.0 -c n_eig=20 -c which=li -c tol=1e-6 -L 16 -c phi=0.3 -v
+
+include("../Hamiltonian.jl")
+mode = cpu_tensor
+T = Float32 # single-precision mode
+
+using Plots
+
+V_gauss(r2) =
+    2 * exp(-((sqrt(r2) - 3) / 1.5) ^ 2)
+
+d = 3
+n = 3
+N = 16
+L = 16
+n_imag = 0
+
+for ϕ::T in 0.2:0.05:0.4
+    s = system{T}(d, n, N, L)
+    H = Hamiltonian{T}(s, V_gauss, ϕ, n_imag, mode)
+    @time evals, _, info = eig(H, 20)
+    
+    print(info.numops, " operations")
+    display(evals)
+
+    scatter(real.(evals), imag.(evals); legend=false)
+    xlabel!("Re E")
+    ylabel!("Im E")
+    xlims!(0, 6)
+    ylims!(-0.6, 0)
+    savefig("temp/phi$(Int(round(ϕ * 100))).png")
+end

calculations/ComplexScaling-FV-P-res.jl

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+include("../Hamiltonian.jl")
+mode = cpu_tensor
+T = Float32 # single-precision mode
+
+V_gauss(r2) =
+    -10 * exp(-(sqrt(r2)) ^ 2)
+
+d = 3
+n = 2
+N = 96
+ϕ = pi/6
+n_imag = 1
+
+open("ComplexScaling-FV-P-res.dat", "w") do f
+    for L = range(20, 35, length=16)
+        println("Calculating L=", L)
+        s = system{T}(d, n, N, L)
+        H = Hamiltonian{T}(s, V_gauss, ϕ, n_imag, mode)
+        @time evals, _, info = eig(H, 40)
+
+        dataline = vcat([L], hcat(real.(evals), imag.(evals))'[:])
+        println(f, join(dataline, '\t'))
+    end
+end

calculations/ComplexScaling-FV-S-bound-phi.jl

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+include("../Hamiltonian.jl")
+mode = cpu_tensor
+T = Float32 # single-precision mode
+
+V_gauss(r2) =
+    -10 * exp(-(sqrt(r2)) ^ 2)
+
+d = 3
+n = 2
+N = 30
+L = 6
+n_imag = 1
+
+open("ComplexScaling-FV-S-bound-phi.dat", "w") do f
+    for ϕ = range(0.0, 0.5, length=11)
+        println("Calculating ϕ=", ϕ)
+        s = system{T}(d, n, N, L)
+        H = Hamiltonian{T}(s, V_gauss, ϕ, n_imag, mode)
+        @time evals, _, info = eig(H, 10, resonances = false)
+
+        dataline = vcat([ϕ], hcat(real.(evals), imag.(evals))'[:])
+        println(f, join(dataline, '\t'))
+    end
+end

calculations/ComplexScaling-FV-S-res-phi.jl

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+include("../Hamiltonian.jl")
+mode = cpu_tensor
+T = Float32 # single-precision mode
+
+V_gauss(r2) =
+    2 * exp(- ((sqrt(r2)-3)/1.5) ^ 2)
+
+d = 3
+n = 2
+N = 96
+L = 30
+n_imag = 1
+
+open("ComplexScaling-FV-S-res-phi.dat", "w") do f
+    for ϕ = range(0.1, 0.6, length=26)
+        println("Calculating ϕ=", ϕ)
+        s = system{T}(d, n, N, L)
+        H = Hamiltonian{T}(s, V_gauss, ϕ, n_imag, mode)
+        @time evals, _, info = eig(H, 40, resonances = true)
+
+        dataline = vcat([ϕ], hcat(real.(evals), imag.(evals))'[:])
+        println(f, join(dataline, '\t'))
+    end
+end