Merge branch 'master' into ld-argorderswitch

.github/dependabot.yml

@@ -0,0 +1,7 @@
+# https://docs.github.com/github/administering-a-repository/configuration-options-for-dependency-updates
+version: 2
+updates:
+  - package-ecosystem: "github-actions"
+    directory: "/" # Location of package manifests
+    schedule:
+      interval: "weekly"

.github/workflows/ci.yml → .github/workflows/CI.yml

@@ -31,17 +31,19 @@ jobs:
           - x64
     steps:
       - uses: actions/checkout@v4
-      - uses: julia-actions/setup-julia@v1
+      - uses: julia-actions/setup-julia@v2
         with:
           version: ${{ matrix.version }}
           arch: ${{ matrix.arch }}
-      - uses: julia-actions/cache@v1
+      - uses: julia-actions/cache@v2
       - uses: julia-actions/julia-buildpkg@latest
       - uses: julia-actions/julia-runtest@latest
         env:
           JULIA_NUM_THREADS: 4
       - uses: julia-actions/julia-processcoverage@v1
-      - uses: codecov/codecov-action@v3
+      - uses: codecov/codecov-action@v4
+        env:
+          CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
         with:
           file: lcov.info
   test-nightly:
@@ -61,11 +63,11 @@ jobs:
           - x64
     steps:
       - uses: actions/checkout@v4
-      - uses: julia-actions/setup-julia@v1
+      - uses: julia-actions/setup-julia@v2
         with:
           version: ${{ matrix.version }}
           arch: ${{ matrix.arch }}
-      - uses: julia-actions/cache@v1
+      - uses: julia-actions/cache@v2
       - uses: julia-actions/julia-buildpkg@latest
       - uses: julia-actions/julia-runtest@latest
         env:

.github/workflows/CompatHelper.yml

@@ -0,0 +1,18 @@
+name: CompatHelper
+
+on:
+  schedule:
+    - cron: 0 0 * * *
+  workflow_dispatch:
+
+jobs:
+  CompatHelper:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Pkg.add("CompatHelper")
+        run: julia -e 'using Pkg; Pkg.add("CompatHelper")'
+      - name: CompatHelper.main()
+        env:
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+          COMPATHELPER_PRIV: ${{ secrets.DOCUMENTER_KEY }}
+        run: julia -e 'using CompatHelper; CompatHelper.main()'

.github/workflows/docs.yml → .github/workflows/Documentation.yml

@@ -8,6 +8,7 @@ on:
       - 'release-'
     tags: '*'
   pull_request:
+  workflow_dispatch:
 
 jobs:
   build:

.github/workflows/formatter.yml → .github/workflows/FormatCheck.yml

@@ -1,4 +1,4 @@
-name: format-check
+name: FormatCheck
 
 on:
   push:
@@ -35,7 +35,6 @@ jobs:
           julia  -e 'using Pkg; Pkg.add(PackageSpec(name="JuliaFormatter"))'
           julia  -e 'using JuliaFormatter; format(".", verbose=true)'
       - name: Format check
-        id: format
         run: |
           julia -e '
           out = Cmd(`git diff --name-only`) |> read |> String
@@ -45,23 +44,4 @@ jobs:
               @error "Some files have not been formatted !!!"
               write(stdout, out)
               exit(1)
-          end'
-          
-      - name: Create pull request
-        if: ${{ failure() && steps.format.conclusion == 'failure' }}
-        id: cpr
-        uses: peter-evans/create-pull-request@v3
-        with:
-          token: ${{ secrets.GITHUB_TOKEN }}
-          commit-message: Format .jl files
-          title: 'Automatic JuliaFormatter.jl run'
-          base: ${{ github.head_ref }}
-          branch: auto-juliaformatter-pr
-          delete-branch: true
-          labels: formatting, automated pr, no changelog
-
-      - name: Check outputs
-        if: ${{ success() && steps.cpr.conclusion == 'success' }}
-        run: |
-          echo "Pull Request Number - ${{ steps.cpr.outputs.pull-request-number }}"
-          echo "Pull Request URL - ${{ steps.cpr.outputs.pull-request-url }}"
+          end'

.github/workflows/TagBot.yml

@@ -0,0 +1,34 @@
+name: TagBot
+
+on:
+  issue_comment:
+    types:
+      - created
+  workflow_dispatch:
+    inputs:
+      lookback:
+        default: 3
+
+permissions:
+  actions: read
+  checks: read
+  contents: write
+  deployments: read
+  issues: read
+  discussions: read
+  packages: read
+  pages: read
+  pull-requests: read
+  repository-projects: read
+  security-events: read
+  statuses: read
+
+jobs:
+  TagBot:
+    if: github.event_name == 'workflow_dispatch' || github.actor == 'JuliaTagBot'
+    runs-on: ubuntu-latest
+    steps:
+      - uses: JuliaRegistries/TagBot@v1
+        with:
+          token: ${{ secrets.GITHUB_TOKEN }}
+          ssh: ${{ secrets.DOCUMENTER_KEY }}

docs/src/lib/lib.md

@@ -2,4 +2,5 @@
 
 ```@autodocs
 Modules = [PEPSKit, PEPSKit.Defaults]
+Filter = t -> !(t in [PEPSKit.PEPS_∂∂AC, PEPSKit.PEPS_∂∂C, PEPSKit.PEPO_∂∂AC, PEPSKit.PEPO_∂∂C])
 ```

examples/boundary_mps.jl

@@ -0,0 +1,86 @@
+using Random
+using PEPSKit
+using TensorKit
+using MPSKit
+using LinearAlgebra
+
+include("ising_pepo.jl")
+
+# This example demonstrates some boundary-MPS methods for working with 2D projected
+# entangled-pair states and operators.
+
+## Computing a PEPS norm
+
+# We start by initializing a random initial infinite PEPS
+Random.seed!(29384293742893)
+peps = InfinitePEPS(ComplexSpace(2), ComplexSpace(2))
+
+# To compute its norm, we start by constructing the transfer operator corresponding to
+# the partition function representing the overlap <peps|peps>
+T = InfiniteTransferPEPS(peps, 1, 1)
+
+# We then find its leading boundary MPS fixed point, where the corresponding eigenvalue
+# encodes the norm of the state
+
+# Fist we build an initial guess for the boundary MPS, choosing a bond dimension of 20
+mps = PEPSKit.initializeMPS(T, [ComplexSpace(20)])
+
+# We then find the leading boundary MPS fixed point using the VUMPS algorithm
+mps, envs, ϵ = leading_boundary(mps, T, VUMPS())
+
+# The norm of the state per unit cell is then given by the expectation value <mps|T|mps>
+N = abs(prod(expectation_value(mps, T)))
+
+# This can be compared to the result obtained using the CTMRG algorithm
+ctm = leading_boundary(
+    peps, CTMRG(; verbosity=1, fixedspace=true), CTMRGEnv(peps; Venv=ComplexSpace(20))
+)
+N´ = abs(norm(peps, ctm))
+
+@show abs(N - N´) / N
+
+## Working with unit cells
+
+# For PEPS with non-trivial unit cells, the principle is exactly the same.
+# The only difference is that now the transfer operator of the PEPS norm partition function
+# has multiple lines, each of which can be represented by an `InfiniteTransferPEPS` object.
+# Such a multi-line transfer operator is represented by a `TransferPEPSMultiline` object.
+# In this case, the boundary MPS is an `MPSMultiline` object, which should be initialized
+# by specifying a virtual space for each site in the partition function unit cell.
+
+peps2 = InfinitePEPS(ComplexSpace(2), ComplexSpace(2); unitcell=(2, 2))
+T2 = PEPSKit.TransferPEPSMultiline(peps2, 1)
+
+mps2 = PEPSKit.initializeMPS(T2, fill(ComplexSpace(20), 2, 2))
+mps2, envs2, ϵ = leading_boundary(mps2, T2, VUMPS())
+N2 = abs(prod(expectation_value(mps2, T2)))
+
+ctm2 = leading_boundary(
+    peps2, CTMRG(; verbosity=1, fixedspace=true), CTMRGEnv(peps2; Venv=ComplexSpace(20))
+)
+N2´ = abs(norm(peps2, ctm2))
+
+@show abs(N2 - N2´) / N2
+
+# Note that for larger unit cells and non-Hermitian PEPS the VUMPS algorithm may become
+# unstable, in which case the CTMRG algorithm is recommended.
+
+## Contracting PEPO overlaps
+
+# Using exactly the same machinery, we can contract partition functions which encode the
+# expectation value of a PEPO for a given PEPS state.
+# As an example, we can consider the overlap of the PEPO correponding to the partition
+# function of 3D classical ising model with our random PEPS from before and evaluate
+# <peps|O|peps>.
+
+pepo = ising_pepo(1)
+T3 = InfiniteTransferPEPO(peps, pepo, 1, 1)
+
+mps3 = PEPSKit.initializeMPS(T3, [ComplexSpace(20)])
+mps3, envs3, ϵ = leading_boundary(mps3, T3, VUMPS())
+@show N3 = abs(prod(expectation_value(mps3, T3)))
+
+# These objects and routines can be used to optimize PEPS fixed points of 3D partition
+# functions, see for example https://arxiv.org/abs/1805.10598
+
+nothing

examples/ising_pepo.jl

@@ -0,0 +1,23 @@
+using TensorOperations
+using TensorKit
+
+"""
+    ising_pepo(beta; unitcell=(1, 1, 1))
+
+Return the PEPO tensor for partition function of the 3D classical Ising model at inverse
+temperature `beta`. 
+"""
+function ising_pepo(beta; unitcell=(1, 1, 1))
+    t = ComplexF64[exp(beta) exp(-beta); exp(-beta) exp(beta)]
+    q = sqrt(t)
+
+    O = zeros(2, 2, 2, 2, 2, 2)
+    O[1, 1, 1, 1, 1, 1] = 1
+    O[2, 2, 2, 2, 2, 2] = 1
+    @tensor o[-1 -2; -3 -4 -5 -6] :=
+        O[1 2; 3 4 5 6] * q[-1; 1] * q[-2; 2] * q[-3; 3] * q[-4; 4] * q[-5; 5] * q[-6; 6]
+
+    O = TensorMap(o, ℂ^2 ⊗ (ℂ^2)' ← ℂ^2 ⊗ ℂ^2 ⊗ (ℂ^2)' ⊗ (ℂ^2)')
+
+    return InfinitePEPO(O; unitcell)
+end