Merge branch 'main' into dev/cuda

.github/workflows/Benchmarks.yml

@@ -0,0 +1,55 @@
+name: Benchmark Tracking
+on:
+  push:
+    branches:
+      - 'main'
+    paths-ignore:
+      - 'docs/**'
+  pull_request:
+    branches:
+      - 'main'
+    paths-ignore:
+      - 'docs/**'
+    types:
+      - opened
+      - reopened
+      - synchronize
+      - ready_for_review
+
+permissions:
+    actions: write
+    contents: write
+    deployments: write
+
+jobs:
+  benchmark:
+    runs-on: ubuntu-latest
+    if: ${{ !github.event.pull_request.draft }}
+    steps:
+      - uses: actions/checkout@v4
+      - uses: julia-actions/setup-julia@v2
+        with:
+          version: '1'
+          arch: x64
+      - uses: julia-actions/cache@v2
+      - name: Run benchmark
+        run: |
+          cd benchmarks
+          julia --project --threads=2 --color=yes -e '
+            using Pkg;
+            Pkg.develop(PackageSpec(path=joinpath(pwd(), "..")));
+            Pkg.instantiate();
+            include("runbenchmarks.jl")'
+
+      - name: Parse & Upload Benchmark Results
+        uses: benchmark-action/github-action-benchmark@v1
+        with:
+          name: Benchmark Results
+          tool: "julia"
+          output-file-path: benchmarks/benchmarks_output.json
+          github-token: ${{ secrets.GITHUB_TOKEN }}
+          alert-threshold: "200%"
+          fail-on-alert: true
+          benchmark-data-dir-path: benchmarks
+          max-items-in-chart: 100
+          auto-push: ${{ github.event_name != 'pull_request' }}

.github/workflows/CI.yml

@@ -28,10 +28,9 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        # for core tests
+        # for core tests (latest and oldest supported versions)
         version:
-          - '1.8'
-          - '1.9'
+          - '1.7'
           - '1.10'
         os:
           - ubuntu-latest
@@ -42,8 +41,18 @@ jobs:
         group:
           - Core
 
-        # for code quality tests
         include:
+          # for core tests (intermediate versions)
+          - version: '1.8'
+            os: 'ubuntu-latest'
+            arch: 'x64'
+            group: 'Core'
+          - version: '1.9'
+            os: 'ubuntu-latest'
+            arch: 'x64'
+            group: 'Core'
+
+          # for code quality tests
           - version: '1'
             os: 'ubuntu-latest'
             arch: 'x64'
@@ -55,7 +64,7 @@ jobs:
         with:
           version: ${{ matrix.version }}
           arch: ${{ matrix.arch }}
-      - uses: julia-actions/cache@v1
+      - uses: julia-actions/cache@v2
       - uses: julia-actions/julia-buildpkg@v1
       - uses: julia-actions/julia-runtest@v1
         env:

.github/workflows/documentation.yml

@@ -27,7 +27,7 @@ jobs:
       - uses: julia-actions/setup-julia@v2
         with:
           version: '1'
-      - uses: julia-actions/cache@v1
+      - uses: julia-actions/cache@v2
       - uses: julia-actions/julia-buildpkg@v1
       - uses: julia-actions/julia-docdeploy@v1
         env:

.gitignore

@@ -1,7 +1,10 @@
 .DS_Store
+
 *.jl.*.cov
 *.jl.cov
 *.jl.mem
 Manifest.toml
 docs/build/
-.vscode
+
+.vscode
+*.json

Project.toml

@@ -1,18 +1,18 @@
 name = "QuantumToolbox"
 uuid = "6c2fb7c5-b903-41d2-bc5e-5a7c320b9fab"
 authors = ["Alberto Mercurio"]
-version = "0.7.2"
+version = "0.8.0"
 
 [deps]
 DiffEqCallbacks = "459566f4-90b8-5000-8ac3-15dfb0a30def"
-Distributed = "8ba89e20-285c-5b6f-9357-94700520ee1b"
 FFTW = "7a1cc6ca-52ef-59f5-83cd-3a7055c09341"
 Graphs = "86223c79-3864-5bf0-83f7-82e725a168b6"
 IncompleteLU = "40713840-3770-5561-ab4c-a76e7d0d7895"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 LinearMaps = "7a12625a-238d-50fd-b39a-03d52299707e"
 LinearSolve = "7ed4a6bd-45f5-4d41-b270-4a48e9bafcae"
 OrdinaryDiffEq = "1dea7af3-3e70-54e6-95c3-0bf5283fa5ed"
+Pkg = "44cfe95a-1eb2-52ea-b672-e2afdf69b78f"
 Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
 Reexport = "189a3867-3050-52da-a836-e630ba90ab69"
 SparseArrays = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
@@ -27,7 +27,6 @@ QuantumToolboxCUDAExt = "CUDA"
 [compat]
 CUDA = "5"
 DiffEqCallbacks = "2, 3"
-Distributed = "<0.0.1, 1"
 FFTW = "1.5"
 Graphs = "1.7"
 IncompleteLU = "0.2"
@@ -44,8 +43,7 @@ Test = "<0.0.1, 1"
 julia = "1.7"
 
 [extras]
-Pkg = "44cfe95a-1eb2-52ea-b672-e2afdf69b78f"
 Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
 
 [targets]
-test = ["Pkg", "Test"]
+test = ["Test"]

README.md

@@ -5,7 +5,7 @@
 [![Build Status](https://github.com/albertomercurio/QuantumToolbox.jl/actions/workflows/CI.yml/badge.svg?branch=main)](https://github.com/albertomercurio/QuantumToolbox.jl/actions/workflows/CI.yml?query=branch%3Amain)
 [![Aqua QA](https://raw.githubusercontent.com/JuliaTesting/Aqua.jl/master/badge.svg)](https://github.com/JuliaTesting/Aqua.jl)
 [![Coverage](https://codecov.io/gh/albertomercurio/QuantumToolbox.jl/branch/main/graph/badge.svg)](https://codecov.io/gh/albertomercurio/QuantumToolbox.jl)
-[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10822817.svg)](https://doi.org/10.5281/zenodo.10822817)
+[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.11096277.svg)](https://doi.org/10.5281/zenodo.11096277)
 
 ## Introduction
 [QuantumToolbox.jl](https://github.com/albertomercurio/QuantumToolbox.jl) is a cutting-edge Julia package designed for quantum physics simulations, closely emulating the popular Python [QuTiP](https://github.com/qutip/qutip) package. It uniquely combines the simplicity and power of Julia with advanced features like GPU acceleration and distributed computing, making simulation of quantum systems more accessible and efficient.

benchmarks/Project.toml

@@ -0,0 +1,3 @@
+[deps]
+BenchmarkTools = "6e4b80f9-dd63-53aa-95a3-0cdb28fa8baf"
+QuantumToolbox = "6c2fb7c5-b903-41d2-bc5e-5a7c320b9fab"

benchmarks/correlations_and_spectrum.jl

@@ -0,0 +1,18 @@
+function benchmark_correlations_and_spectrum()
+    N = 15
+    ω = 1
+    γ = 0.1
+    nth = 0.02
+
+    a = destroy(N)
+    H = ω * a' * a
+    c_ops = [sqrt(γ * (nth + 1)) * a, sqrt(γ * nth) * a']
+
+    ω_l = range(0, 3, length=1000)
+
+    SUITE["Correlations and Spectrum"]["FFT Correlation"] = @benchmarkable spectrum($H, $ω_l, $(a'), $a, $c_ops, solver=FFTCorrelation(), progress_bar=false)
+
+    SUITE["Correlations and Spectrum"]["Exponential Series"] = @benchmarkable spectrum($H, $ω_l, $(a'), $a, $c_ops)
+end
+
+benchmark_correlations_and_spectrum()

benchmarks/dynamical_fock_dimension.jl

@@ -0,0 +1,33 @@
+function H_dfd2(dims, p)
+    Δ = p.Δ
+    F = p.F
+    J = p.J
+    a = tensor(destroy(dims[1]), qeye(dims[2]))
+    b = tensor(qeye(dims[1]), destroy(dims[2]))
+    Δ * a' * a + F * (a + a') + Δ * b' * b + J * (a' * b + a * b')
+end
+function c_ops_dfd2(dims, p)
+    κ = p.κ
+    a = tensor(destroy(dims[1]), qeye(dims[2]))
+    b = tensor(qeye(dims[1]), destroy(dims[2]))
+    [√κ * a, √κ * b]
+end
+function e_ops_dfd2(dims, p)
+    a = tensor(destroy(dims[1]), qeye(dims[2]))
+    b = tensor(qeye(dims[1]), destroy(dims[2]))
+    [a' * a, b' * b]
+end
+
+function benchmark_dfd()
+    F, Δ, κ, J = 1, 0.25, 1, 0.05
+    maxdims = [50, 50]
+
+    ψ0 = tensor(fock(3, 0), fock(20, 15))
+    dfd_params = (Δ=Δ, F=F, κ=κ, J=J)
+
+    tlist = range(0, 15 / κ, 100)
+
+    SUITE["Time Evolution"]["Dynamical Fock Dimension"] = @benchmarkable dfd_mesolve(H_dfd2, $ψ0, $tlist, c_ops_dfd2, $maxdims, $dfd_params, e_ops=e_ops_dfd2, progress_bar=false)
+end
+
+benchmark_dfd()

benchmarks/eigenvalues.jl

@@ -0,0 +1,22 @@
+function benchmark_eigenvalues()
+    N = 5
+    a = tensor(destroy(N), qeye(N))
+    a_d = a'
+    b = tensor(qeye(N), destroy(N))
+    b_d = b'
+
+    ωc = 1
+    ωb = 1
+    g = 0.2
+    κ = 0.01
+    n_thermal = 0.1
+
+    H = ωc * a_d * a + ωb * b_d * b + g * (a + a_d) * (b + b_d)
+    c_ops = [√((1+n_thermal)*κ) * a, √κ * b, √(n_thermal*κ) * a_d]
+    L = liouvillian(H, c_ops)
+
+    SUITE["Eigenvalues"]["eigenstates"]["dense"] = @benchmarkable eigenstates($L)
+    SUITE["Eigenvalues"]["eigenstates"]["sparse"] = @benchmarkable eigenstates($L, sparse=true, sigma=0.01, k=5)
+end
+
+benchmark_eigenvalues()

benchmarks/runbenchmarks.jl

@@ -0,0 +1,18 @@
+using BenchmarkTools
+using QuantumToolbox
+
+BLAS.set_num_threads(1)
+
+const SUITE = BenchmarkGroup()
+
+include("correlations_and_spectrum.jl")
+include("dynamical_fock_dimension.jl")
+include("eigenvalues.jl")
+include("steadystate.jl")
+include("timeevolution.jl")
+
+BenchmarkTools.tune!(SUITE)
+results = BenchmarkTools.run(SUITE, verbose = true)
+display(median(results))
+
+BenchmarkTools.save("benchmarks_output.json", median(results))

benchmarks/steadystate.jl

@@ -0,0 +1,15 @@
+function benchmark_steadystate()
+    N = 50
+    Δ = 0.1
+    F = 2
+    γ = 1
+    nth = 5
+
+    a = destroy(N)
+    H = Δ * a' * a + F * (a + a')
+    c_ops = [sqrt(γ * (nth + 1)) * a, sqrt(γ * nth) * a']
+
+    SUITE["Steadystate"]["Direct"] = @benchmarkable steadystate($H, $c_ops)
+end
+
+benchmark_steadystate()

benchmarks/timeevolution.jl

@@ -0,0 +1,47 @@
+function benchmark_timeevolution()
+    ωc = 1
+    ωq = 1
+    g = 0.1
+    ωd = 0.99
+    F = 0.07
+
+    Δc = ωc - ωd
+    Δq = ωq - ωd
+
+    # Operators definition
+    N = 20 # cutoff for the cavity Hilbert space
+    a = tensor(destroy(N), qeye(2))
+    σm = tensor(qeye(N), sigmam())
+    σz = tensor(qeye(N), sigmaz())
+
+    # Hamiltonian
+    H = Δc * a' * a + Δq * σz / 2 + g * (a' * σm + a * σm') + F * (a + a')
+
+    e_ops = [a'*a, σz]
+
+    # Initial state
+    ψ0 = tensor(coherent(N, 0), fock(2, 1))
+
+    ## sesolve ##
+
+    tlist = range(0, 2π * 10 / g, 1000)
+
+    SUITE["Time Evolution"]["time-independent"]["sesolve"] = @benchmarkable sesolve($H, $ψ0, $tlist, e_ops=$e_ops, progress_bar=false)
+
+    ## mesolve ##
+
+    nth = 0.01
+    γ = 0.05
+    c_ops = [sqrt(γ * (nth + 1)) * a, sqrt(γ * nth) * a', sqrt(γ) * σm]
+
+    tlist = range(0, 10/γ, 100)
+
+    SUITE["Time Evolution"]["time-independent"]["mesolve"] = @benchmarkable mesolve($H, $ψ0, $tlist, $c_ops, e_ops=$e_ops, progress_bar=false)
+
+    ## mcsolve ##
+
+    SUITE["Time Evolution"]["time-independent"]["mcsolve"]["Serial"] = @benchmarkable mcsolve($H, $ψ0, $tlist, $c_ops, n_traj=100, e_ops=$e_ops, progress_bar=false, ensemble_method=EnsembleSerial())
+    SUITE["Time Evolution"]["time-independent"]["mcsolve"]["Multithreaded"] = @benchmarkable mcsolve($H, $ψ0, $tlist, $c_ops, n_traj=100, e_ops=$e_ops, progress_bar=false, ensemble_method=EnsembleThreads())
+end
+
+benchmark_timeevolution()

docs/Project.toml

@@ -1,4 +1,3 @@
 [deps]
+CairoMakie = "13f3f980-e62b-5c42-98c6-ff1f3baf88f0"
 Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
-LaTeXStrings = "b964fa9f-0449-5b57-a5c2-d3ea65f4040f"
-Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80"

docs/make.jl

@@ -8,7 +8,6 @@ DocMeta.setdocmeta!(QuantumToolbox, :DocTestSetup, :(using QuantumToolbox); recu
 makedocs(;
     modules=[QuantumToolbox],
     authors="Alberto Mercurio",
-    # repo="https://github.com/albertomercurio/QuantumToolbox.jl/blob/{commit}{path}#{line}",
     repo = Remotes.GitHub("albertomercurio", "QuantumToolbox.jl"),
     sitename="QuantumToolbox.jl",
     format=Documenter.HTML(;
@@ -30,6 +29,9 @@ makedocs(;
         "api.md",
         "Users Guide" => [
             "Low Rank Master Equation" => "lowrank.md",
+        ],
+        "Benchmarks" => [
+            "Benchmark History" => "benchmarks/benchmark_history.md",
         ]
     ],
 )

docs/src/api.md

@@ -135,3 +135,9 @@ _adjM_condition_ratio
 _pinv!
 dBdz!
 ```
+
+## [Miscellaneous](@id API: Miscellaneous)
+```@docs
+QuantumToolbox.versioninfo
+QuantumToolbox.about
+```

docs/src/benchmarks/benchmark_history.md

@@ -0,0 +1,3 @@
+```@raw html
+<iframe src="https://albertomercurio.github.io/QuantumToolbox.jl/benchmarks/" style="width:100%;height:500px; border: none;"></iframe>
+```