using DelimitedFiles, Plots include("../ho_basis_3body_resonance.jl") current_E = 5.9673 - 0.0006im training_c = 2.0 : -0.2 : 1.2 extrapolating_c = 1.05 .- [0.0 : 0.1 : 0.4; 0.45 : 0.05 : 0.60] @time "H0" H0 = T1 + T2 # free memory basis = T1 = T2 = V1_cache = V_relative_cache = V1 = V_relative = U = V2 = nothing GC.gc() exact = ComplexF64[] training = ComplexF64[] extrapolated = ComplexF64[] training_vecs = Vector{ComplexF64}[] for c in training_c println("Training for c = $c") local H = H0 + c .* V local 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 println("Original EC dimensionality = $(length(training_vecs))") @time "Gram-Schmidt" training_vecs = gram_schmidt!(training_vecs; verbose=true) # orthonormalization EC_basis = hcat(training_vecs...) H0_EC = transpose(EC_basis) * H0 * EC_basis V_EC = transpose(EC_basis) * V * EC_basis for c in extrapolating_c println("Extrapolating for c = $c") local H = H0 + c .* V local 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 = H0_EC + c .* V_EC evals = eigvals(H_EC) push!(extrapolated, nearest(evals, current_E)) end exportCSV("temp/NCSM.csv", (training, exact, extrapolated), ("training", "exact", "extrapolated")) scatter(real.(training),imag.(training), label="training") scatter!(real.(exact),imag.(exact), label="exact") scatter!(real.(extrapolated),imag.(extrapolated), label="extrapolated") savefig("temp/NCSM.pdf")