From 4efd967589172a59af7a0a011258a82d87b117eb Mon Sep 17 00:00:00 2001 From: Nuwan Yapa Date: Wed, 8 Jan 2025 12:49:02 -0500 Subject: [PATCH] Remove unwanted calculation --- calculations/2in3body_HO_B2R_EC.jl | 83 ------------------------------ 1 file changed, 83 deletions(-) delete mode 100644 calculations/2in3body_HO_B2R_EC.jl diff --git a/calculations/2in3body_HO_B2R_EC.jl b/calculations/2in3body_HO_B2R_EC.jl deleted file mode 100644 index b85a941..0000000 --- a/calculations/2in3body_HO_B2R_EC.jl +++ /dev/null @@ -1,83 +0,0 @@ -using Arpack, SparseArrays, LRUCache -using DelimitedFiles, Plots -include("../ho_basis.jl") - -Λ = 0 -m = 1.0 -V_of_r(r) = -5 * exp(-r^2 / 3) + 2 * exp(-r^2 / 10) - -E_max = 40 -μω_global = 0.2 * exp(-2im * pi / 9) - -# due to Jacobi coordinates -μ1ω1 = μω_global * 1/2 -μ2ω2 = μω_global * 2 -μ1 = m * 1/2 -μ2 = m * 2/3 - -println("No of threads = ", Threads.nthreads()) - -basis = ho_basis_2B(E_max, Λ) -println("Basis size = ", basis.dim) - -@time "T1" T1 = get_sp_T_matrix(basis.n1s, basis.l1s, [basis.n2s, basis.l2s]; μω_gen=μ1ω1, μ=μ1) -@time "T2" T2 = get_sp_T_matrix(basis.n2s, basis.l2s, [basis.n1s, basis.l1s]; μω_gen=μ2ω2, μ=μ2) - -@time "V" Vb = get_jacobi_V_matrix(V_of_r, basis, μ1ω1, μω_global) - -@time "H0" Ha = T1 + T2 - -# free memory -basis = T1 = T2 = V1_cache = V_relative_cache = V1 = V_relative = U = V2 = nothing -GC.gc() - -current_E = -0.26141959851000807 - -training_c = range(1.1, 0.9, 5) -extrapolating_c = range(0.78, 0.45, 7) - -exact = ComplexF64[] -training = ComplexF64[] -extrapolated = ComplexF64[] -training_vecs = Vector{ComplexF64}[] - -for c in training_c - println("Training for c = $c") - H = Ha + c .* Vb - evals, evecs = eigs(H, nev=3, ncv=24, which=:LI, maxiter=5000, tol=1e-5, ritzvec=true, check=1) - - global current_E = nearest(evals, current_E) - push!(training, current_E) - push!(training_vecs, evecs[:, nearestIndex(evals, current_E)]) -end - -# CA-EC -training_vecs = vcat(training_vecs, conj(training_vecs)) - -EC_basis = hcat(training_vecs...) -N_EC = transpose(EC_basis) * EC_basis -Ha_EC = transpose(EC_basis) * Ha * EC_basis -Vb_EC = transpose(EC_basis) * Vb * EC_basis - -current_E = 0.05387926316280764 - 0.008900278183544552im - -for c in extrapolating_c - println("Extrapolating for c = $c") - H = Ha + c .* Vb - evals, evecs = eigs(H, nev=3, ncv=24, which=:LI, maxiter=5000, tol=1e-5, ritzvec=true, check=1) - - global current_E = nearest(evals, current_E) - push!(exact, current_E) - - # extrapolation - H_EC = Ha_EC + c .* Vb_EC - evals = eigvals(H_EC, N_EC) - push!(extrapolated, nearest(evals, current_E)) -end - -scatter(real.(training),imag.(training), label="training") -scatter!(real.(exact),imag.(exact), label="exact") -scatter!(real.(extrapolated),imag.(extrapolated), label="extrapolated") -xlims!(-0.3, 0.3) -ylims!(-0.2, 0) -savefig("temp/2in3_HO_B2R.pdf") \ No newline at end of file