Merge branch 'main' into GradedUnitRangeDual

.github/workflows/Downstream.yml

@@ -17,7 +17,6 @@ jobs:
         package:
           - {user: ITensor, repo: ITensorGaussianMPS.jl}
           - {user: ITensor, repo: ITensorMPS.jl}
-          - {user: ITensor, repo: ITensorTDVP.jl}
           - {user: ITensor, repo: ITensorUnicodePlots.jl}
           - {user: ITensor, repo: ITensorVisualizationBase.jl}
 

NDTensors/Project.toml

@@ -1,7 +1,7 @@
 name = "NDTensors"
 uuid = "23ae76d9-e61a-49c4-8f12-3f1a16adf9cf"
 authors = ["Matthew Fishman <[email protected]>"]
-version = "0.3.48"
+version = "0.3.49"
 
 [deps]
 Accessors = "7d9f7c33-5ae7-4f3b-8dc6-eff91059b697"

NDTensors/src/lib/GradedAxes/src/gradedunitrange.jl

@@ -21,7 +21,13 @@ using BlockArrays:
 using Compat: allequal
 using FillArrays: Fill
 using ..LabelledNumbers:
-  LabelledNumbers, LabelledInteger, LabelledUnitRange, label, labelled, unlabel
+  LabelledNumbers,
+  LabelledInteger,
+  LabelledUnitRange,
+  label,
+  labelled,
+  labelled_isequal,
+  unlabel
 
 const AbstractGradedUnitRange{T<:LabelledInteger} = AbstractBlockedUnitRange{T}
 
@@ -42,7 +48,7 @@ end
 struct NoLabel end
 blocklabels(r::AbstractUnitRange) = Fill(NoLabel(), blocklength(r))
 
-function labelled_isequal(a1::AbstractUnitRange, a2::AbstractUnitRange)
+function LabelledNumbers.labelled_isequal(a1::AbstractUnitRange, a2::AbstractUnitRange)
   return blockisequal(a1, a2) && (blocklabels(a1) == blocklabels(a2))
 end
 

Project.toml

@@ -1,7 +1,7 @@
 name = "ITensors"
 uuid = "9136182c-28ba-11e9-034c-db9fb085ebd5"
 authors = ["Matthew Fishman <[email protected]>", "Miles Stoudenmire <[email protected]>"]
-version = "0.6.23"
+version = "0.7.1"
 
 [deps]
 Adapt = "79e6a3ab-5dfb-504d-930d-738a2a938a0e"
@@ -12,11 +12,8 @@ Dictionaries = "85a47980-9c8c-11e8-2b9f-f7ca1fa99fb4"
 DocStringExtensions = "ffbed154-4ef7-542d-bbb7-c09d3a79fcae"
 Functors = "d9f16b24-f501-4c13-a1f2-28368ffc5196"
 IsApprox = "28f27b66-4bd8-47e7-9110-e2746eb8bed7"
-KrylovKit = "0b1a1467-8014-51b9-945f-bf0ae24f4b77"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
-LinearMaps = "7a12625a-238d-50fd-b39a-03d52299707e"
 NDTensors = "23ae76d9-e61a-49c4-8f12-3f1a16adf9cf"
-PackageExtensionCompat = "65ce6f38-6b18-4e1d-a461-8949797d7930"
 Pkg = "44cfe95a-1eb2-52ea-b672-e2afdf69b78f"
 Printf = "de0858da-6303-5e67-8744-51eddeeeb8d7"
 Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
@@ -31,15 +28,11 @@ Zeros = "bd1ec220-6eb4-527a-9b49-e79c3db6233b"
 
 [weakdeps]
 HDF5 = "f67ccb44-e63f-5c2f-98bd-6dc0ccc4ba2f"
-Observers = "338f10d5-c7f1-4033-a7d1-f9dec39bcaa0"
-PackageCompiler = "9b87118b-4619-50d2-8e1e-99f35a4d4d9d"
 VectorInterface = "409d34a3-91d5-4945-b6ec-7529ddf182d8"
 ZygoteRules = "700de1a5-db45-46bc-99cf-38207098b444"
 
 [extensions]
 ITensorsHDF5Ext = "HDF5"
-ITensorsObserversExt = "Observers"
-ITensorsPackageCompilerExt = "PackageCompiler"
 ITensorsVectorInterfaceExt = "VectorInterface"
 ITensorsZygoteRulesExt = "ZygoteRules"
 
@@ -53,13 +46,8 @@ DocStringExtensions = "0.9.3"
 Functors = "0.2, 0.3, 0.4"
 HDF5 = "0.14, 0.15, 0.16, 0.17"
 IsApprox = "0.1, 1, 2"
-KrylovKit = "0.4.2, 0.5, 0.6, 0.7, 0.8"
 LinearAlgebra = "1.6"
-LinearMaps = "3"
 NDTensors = "0.3.34"
-Observers = "0.2"
-PackageCompiler = "1, 2"
-PackageExtensionCompat = "1"
 Pkg = "1.6"
 Printf = "1.6"
 Random = "1.6"
@@ -78,7 +66,5 @@ julia = "1.10"
 [extras]
 ChainRulesCore = "d360d2e6-b24c-11e9-a2a3-2a2ae2dbcce4"
 HDF5 = "f67ccb44-e63f-5c2f-98bd-6dc0ccc4ba2f"
-Observers = "338f10d5-c7f1-4033-a7d1-f9dec39bcaa0"
-PackageCompiler = "9b87118b-4619-50d2-8e1e-99f35a4d4d9d"
 VectorInterface = "409d34a3-91d5-4945-b6ec-7529ddf182d8"
 ZygoteRules = "700de1a5-db45-46bc-99cf-38207098b444"

docs/Project.toml

@@ -2,6 +2,7 @@
 Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
 HDF5 = "f67ccb44-e63f-5c2f-98bd-6dc0ccc4ba2f"
 ITensorMPS = "0d1a4710-d33b-49a5-8f18-73bdf49b47e2"
+ITensors = "9136182c-28ba-11e9-034c-db9fb085ebd5"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 Strided = "5e0ebb24-38b0-5f93-81fe-25c709ecae67"
 

docs/settings.jl

@@ -1,12 +1,18 @@
 using Documenter
 using ITensors
+using ITensorMPS
 
+# Allows using ITensorMPS.jl docstrings in ITensors.jl documentation:
+# https://github.com/JuliaDocs/Documenter.jl/issues/1734
 DocMeta.setdocmeta!(ITensors, :DocTestSetup, :(using ITensors); recursive=true)
+DocMeta.setdocmeta!(ITensorMPS, :DocTestSetup, :(using ITensorMPS); recursive=true)
 
 sitename = "ITensors.jl"
 
 settings = Dict(
-  :modules => [ITensors],
+  # Allows using ITensorMPS.jl docstrings in ITensors.jl documentation:
+  # https://github.com/JuliaDocs/Documenter.jl/issues/1734
+  :modules => [ITensors, ITensorMPS],
   :pages => [
     "Introduction" => "index.md",
     "Getting Started with ITensor" => [

docs/src/MPSandMPO.md

@@ -32,125 +32,125 @@ MPO(::Type{<:Number}, ::Vector{<:Index}, ::String)
 ## Copying behavior
 
 ```@docs
-copy(::ITensors.AbstractMPS)
-deepcopy(::ITensors.AbstractMPS)
+copy(::ITensorMPS.AbstractMPS)
+deepcopy(::ITensorMPS.AbstractMPS)
 ```
 
 ## Properties
 
 ```@docs
-eltype(::ITensors.AbstractMPS)
-flux(::ITensors.AbstractMPS)
-hasqns(::ITensors.AbstractMPS)
-length(::ITensors.AbstractMPS)
-maxlinkdim(::ITensors.AbstractMPS)
+eltype(::ITensorMPS.AbstractMPS)
+flux(::ITensorMPS.AbstractMPS)
+hasqns(::ITensorMPS.AbstractMPS)
+length(::ITensorMPS.AbstractMPS)
+maxlinkdim(::ITensorMPS.AbstractMPS)
 ```
 
 ## Obtaining and finding indices
 
 ```@docs
-siteinds(::typeof(commoninds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS, ::Int)
-siteinds(::typeof(uniqueinds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS, ::Int)
+siteinds(::typeof(commoninds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS, ::Int)
+siteinds(::typeof(uniqueinds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS, ::Int)
 findsite
 findsites
 firstsiteinds
-linkind(::ITensors.AbstractMPS,::Int)
+linkind(::ITensorMPS.AbstractMPS,::Int)
 siteind(::MPS, ::Int)
 siteind(::typeof(first), ::MPS, ::Int)
 siteinds(::MPS)
 siteind(::MPO, ::Int)
 siteinds(::MPO)
-siteinds(::ITensors.AbstractMPS, ::Int)
+siteinds(::ITensorMPS.AbstractMPS, ::Int)
 ```
 
 ## Priming and tagging
 
 ```@docs
-prime(::ITensors.AbstractMPS)
-prime(::typeof(siteinds), ::ITensors.AbstractMPS)
-prime(::typeof(linkinds), ::ITensors.AbstractMPS)
-prime(::typeof(siteinds), ::typeof(commoninds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-prime(::typeof(siteinds), ::typeof(uniqueinds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-
-swapprime(::ITensors.AbstractMPS, args...; kwargs...)
-
-setprime(::ITensors.AbstractMPS)
-setprime(::typeof(siteinds), ::ITensors.AbstractMPS)
-setprime(::typeof(linkinds), ::ITensors.AbstractMPS)
-setprime(::typeof(siteinds), ::typeof(commoninds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-setprime(::typeof(siteinds), ::typeof(uniqueinds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-
-noprime(::ITensors.AbstractMPS)
-noprime(::typeof(siteinds), ::ITensors.AbstractMPS)
-noprime(::typeof(linkinds), ::ITensors.AbstractMPS)
-noprime(::typeof(siteinds), ::typeof(commoninds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-noprime(::typeof(siteinds), ::typeof(uniqueinds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-
-addtags(::ITensors.AbstractMPS)
-addtags(::typeof(siteinds), ::ITensors.AbstractMPS)
-addtags(::typeof(linkinds), ::ITensors.AbstractMPS)
-addtags(::typeof(siteinds), ::typeof(commoninds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-addtags(::typeof(siteinds), ::typeof(uniqueinds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-
-removetags(::ITensors.AbstractMPS)
-removetags(::typeof(siteinds), ::ITensors.AbstractMPS)
-removetags(::typeof(linkinds), ::ITensors.AbstractMPS)
-removetags(::typeof(siteinds), ::typeof(commoninds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-removetags(::typeof(siteinds), ::typeof(uniqueinds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-
-replacetags(::ITensors.AbstractMPS)
-replacetags(::typeof(siteinds), ::ITensors.AbstractMPS)
-replacetags(::typeof(linkinds), ::ITensors.AbstractMPS)
-replacetags(::typeof(siteinds), ::typeof(commoninds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-replacetags(::typeof(siteinds), ::typeof(uniqueinds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-
-settags(::ITensors.AbstractMPS)
-settags(::typeof(siteinds), ::ITensors.AbstractMPS)
-settags(::typeof(linkinds), ::ITensors.AbstractMPS)
-settags(::typeof(siteinds), ::typeof(commoninds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
-settags(::typeof(siteinds), ::typeof(uniqueinds), ::ITensors.AbstractMPS, ::ITensors.AbstractMPS)
+prime(::ITensorMPS.AbstractMPS)
+prime(::typeof(siteinds), ::ITensorMPS.AbstractMPS)
+prime(::typeof(linkinds), ::ITensorMPS.AbstractMPS)
+prime(::typeof(siteinds), ::typeof(commoninds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+prime(::typeof(siteinds), ::typeof(uniqueinds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+
+swapprime(::ITensorMPS.AbstractMPS, args...; kwargs...)
+
+setprime(::ITensorMPS.AbstractMPS)
+setprime(::typeof(siteinds), ::ITensorMPS.AbstractMPS)
+setprime(::typeof(linkinds), ::ITensorMPS.AbstractMPS)
+setprime(::typeof(siteinds), ::typeof(commoninds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+setprime(::typeof(siteinds), ::typeof(uniqueinds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+
+noprime(::ITensorMPS.AbstractMPS)
+noprime(::typeof(siteinds), ::ITensorMPS.AbstractMPS)
+noprime(::typeof(linkinds), ::ITensorMPS.AbstractMPS)
+noprime(::typeof(siteinds), ::typeof(commoninds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+noprime(::typeof(siteinds), ::typeof(uniqueinds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+
+addtags(::ITensorMPS.AbstractMPS)
+addtags(::typeof(siteinds), ::ITensorMPS.AbstractMPS)
+addtags(::typeof(linkinds), ::ITensorMPS.AbstractMPS)
+addtags(::typeof(siteinds), ::typeof(commoninds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+addtags(::typeof(siteinds), ::typeof(uniqueinds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+
+removetags(::ITensorMPS.AbstractMPS)
+removetags(::typeof(siteinds), ::ITensorMPS.AbstractMPS)
+removetags(::typeof(linkinds), ::ITensorMPS.AbstractMPS)
+removetags(::typeof(siteinds), ::typeof(commoninds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+removetags(::typeof(siteinds), ::typeof(uniqueinds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+
+replacetags(::ITensorMPS.AbstractMPS)
+replacetags(::typeof(siteinds), ::ITensorMPS.AbstractMPS)
+replacetags(::typeof(linkinds), ::ITensorMPS.AbstractMPS)
+replacetags(::typeof(siteinds), ::typeof(commoninds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+replacetags(::typeof(siteinds), ::typeof(uniqueinds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+
+settags(::ITensorMPS.AbstractMPS)
+settags(::typeof(siteinds), ::ITensorMPS.AbstractMPS)
+settags(::typeof(linkinds), ::ITensorMPS.AbstractMPS)
+settags(::typeof(siteinds), ::typeof(commoninds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
+settags(::typeof(siteinds), ::typeof(uniqueinds), ::ITensorMPS.AbstractMPS, ::ITensorMPS.AbstractMPS)
 ```
 
 ## Operations
 
 ```@docs
 expect(::MPS, ::Any)
 correlation_matrix(::MPS, ::AbstractString, ::AbstractString)
-dag(::ITensors.AbstractMPS)
-dense(::ITensors.AbstractMPS)
-movesite(::ITensors.AbstractMPS, ::Pair{Int, Int};orthocenter::Int,kwargs...)
+dag(::ITensorMPS.AbstractMPS)
+dense(::ITensorMPS.AbstractMPS)
+movesite(::ITensorMPS.AbstractMPS, ::Pair{Int, Int};orthocenter::Int,kwargs...)
 orthogonalize!
 replacebond!(::MPS, ::Int, ::ITensor)
 sample(::MPS)
 sample!(::MPS)
 sample(::MPO)
-swapbondsites(::ITensors.AbstractMPS, ::Int; kwargs...)
+swapbondsites(::ITensorMPS.AbstractMPS, ::Int; kwargs...)
 truncate!
 ```
 
 ## Gate evolution
 
 ```@docs
-product(::ITensor, ::ITensors.AbstractMPS)
-product(::Vector{ITensor}, ::ITensors.AbstractMPS)
+product(::ITensor, ::ITensorMPS.AbstractMPS)
+product(::Vector{ITensor}, ::ITensorMPS.AbstractMPS)
 ```
 
 ## Algebra Operations
 
 ```@docs
-inner(::MPST, ::MPST) where {MPST <: ITensors.AbstractMPS}
-dot(::MPST, ::MPST) where {MPST <: ITensors.AbstractMPS}
-loginner(::MPST, ::MPST) where {MPST <: ITensors.AbstractMPS}
-logdot(::MPST, ::MPST) where {MPST <: ITensors.AbstractMPS}
+inner(::MPST, ::MPST) where {MPST <: ITensorMPS.AbstractMPS}
+dot(::MPST, ::MPST) where {MPST <: ITensorMPS.AbstractMPS}
+loginner(::MPST, ::MPST) where {MPST <: ITensorMPS.AbstractMPS}
+logdot(::MPST, ::MPST) where {MPST <: ITensorMPS.AbstractMPS}
 inner(::MPS, ::MPO, ::MPS)
 dot(::MPS, ::MPO, ::MPS)
 inner(::MPO, ::MPS, ::MPO, ::MPS)
 dot(::MPO, ::MPS, ::MPO, ::MPS)
-norm(::ITensors.AbstractMPS)
-normalize(::ITensors.AbstractMPS)
-normalize!(::ITensors.AbstractMPS)
-lognorm(::ITensors.AbstractMPS)
-+(::ITensors.AbstractMPS...)
+norm(::ITensorMPS.AbstractMPS)
+normalize(::ITensorMPS.AbstractMPS)
+normalize!(::ITensorMPS.AbstractMPS)
+lognorm(::ITensorMPS.AbstractMPS)
++(::ITensorMPS.AbstractMPS...)
 contract(::MPO, ::MPS)
 apply(::MPO, ::MPS)
 contract(::MPO, ::MPO)

docs/src/index.md

@@ -29,6 +29,8 @@ Development of ITensor is supported by the Flatiron Institute, a division of the
 
 ## News
 
+- October 25, 2024: ITensors.jl v0.7 has been released. This is a major breaking change, since all of the MPS/MPO functionality from this package has been moved to [ITensorMPS.jl](https://github.com/ITensor/ITensorMPS.jl), along with all of the functionality of [ITensorTDVP.jl](https://github.com/ITensor/ITensorTDVP.jl). If you want to use MPS/MPO types and related functionality, such as `MPS`, `MPO`, `dmrg`, `siteinds`, `OpSum`, `op`, etc. you now must install and load the ITensorMPS.jl package. Additionally, if you are using ITensorTDVP.jl in your code, please change `using ITensorTDVP` to `using ITensorMPS`. ITensorMPS.jl has all of the same functionality as ITensorTDVP.jl, and ITensorTDVP.jl will be deprecated in favor of ITensorMPS.jl. **Note:** If you are using `ITensors.compile`, you must now install and load the ITensorMPS.jl package in order to trigger it to load properly, since it relies on running MPS/MPO functionality as example code for Julia to compile.
+
 - May 9, 2024: A new package [ITensorMPS.jl](https://github.com/ITensor/ITensorMPS.jl) has been released. We plan to move all of the MPS/MPO functionality in [ITensors.jl](https://github.com/ITensor/ITensors.jl) to [ITensorMPS.jl](https://github.com/ITensor/ITensorMPS.jl). For now, ITensorMPS.jl just re-exports the MPS/MPO functionality of ITensors.jl (as well as of [ITensorTDVP.jl](https://github.com/ITensor/ITensorTDVP.jl)), such as `dmrg`, `siteinds`, `MPS`, `MPO`, etc. To prepare for the change over to ITensorMPS.jl, please change `using ITensors` to `using ITensors, ITensorMPS` in any code that makes use of MPS/MPO functionality, and if you are using ITensorTDVP.jl change `using ITensorTDVP` to `using ITensorMPS` in your code.
 
 - May 8, 2024: ITensors.jl v0.6 has been released. This version deletes the experimental "combine-contract" contraction backend, which was enabled by `ITensors.enable_combine_contract()`. This feature enabled performing ITensor contractions by first combining indices and then performing contractions as matrix multiplications, which potentially could lead to speedups for certain contractions involving higher-order QN-conserving tensors. However, the speedups weren't consistent with the current implementation, and this feature will be incorporated into the library in a more systematic way when we release our new non-abelian symmetric tensor backend.
@@ -321,5 +323,5 @@ After sweep 4 energy=-138.940086009318 maxlinkdim=100 maxerr=1.05E-10 time=11.64
 After sweep 5 energy=-138.940086058840 maxlinkdim=96 maxerr=1.00E-10 time=12.771
 Final energy = -138.94008605883985
 ```
-You can find more examples of running `dmrg` and related algorithms [here](https://github.com/ITensor/ITensors.jl/tree/main/src/lib/ITensorMPS/examples).
+You can find more examples of running `dmrg` and related algorithms [here](https://github.com/ITensor/ITensorMPS.jl/tree/main/examples).
 

ext/ITensorsChainRulesCoreExt/ITensorsChainRulesCoreExt.jl

@@ -15,6 +15,5 @@ include("indexset.jl")
 include("itensor.jl")
 include("LazyApply/LazyApply.jl")
 include("non_differentiable.jl")
-include("itensormps.jl")
 include("smallstrings.jl")
 end