v0.7.0

## New Features
- `VectorPauliSum` propagation which is natively multi-threaded in propagation.
- An experimental `PauliPropagationCUDA` extension that allows PauliRotation gates to execute on the GPU.
- Schrödinger picture propagation for some gates, including `PauliRotation`, `CliffordGate`, and `PauliNoise`.
- ImaginaryPauliRotation gates in the Schrödinger picture.


## Design changes
- Large chunks of the propagation code was migrated into PauliPropagation.PropagationBase in preparation for moving it into its own PropagationBase.jl repo.
- Introduced `AbstractTermSum` and `AbstractPauliSum` as abstract types with uniting behavior. Useful defaults available for Dict and Vector storage.
- Introduced propagation caches and the abstract type `AbstractPropagationCache`. These wrap evolving `AbstractTermSum` objects with optional additional objects necessary for efficient propagation.


## Breaking Changes 
Breaking changes do not affect high-level users. Only users defining custom gates and propagation subroutines.
- The argument order and argument types of `applymergetruncate!()` and `applytoall!()` was changed for to receive propagation caches and the optional parameter as last argument.
- `applyandadd!()` was removed.
- Merging functions `mergeandempty!()` and below and truncation functions `checktruncationsonall!()` and below where simplified and reworked into `merge!()` and `truncate!()`.

Author: MSRudolph

Project.toml

@@ -1,24 +1,35 @@
 name = "PauliPropagation"
 uuid = "293282d5-3c99-4fb6-92d0-fd3280a19750"
 authors = ["Manuel S. Rudolph"]
-version = "0.6.0"
+version = "0.7.0"
 
 [deps]
+AcceleratedKernels = "6a4ca0a5-0e36-4168-a932-d9be78d558f1"
 BitIntegers = "c3b6d118-76ef-56ca-8cc7-ebb389d030a1"
 Bits = "1654ce90-6ed3-553a-957f-9452c3a40996"
 JSON = "682c06a0-de6a-54ab-a142-c8b1cf79cde6"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 PlotGraphviz = "78a92bc3-407c-4e2f-aae5-75bb47a6fe36"
+ProfileCanvas = "efd6af41-a80b-495e-886c-e51b0c7d77a3"
 Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
 StatsBase = "2913bbd2-ae8a-5f71-8c99-4fb6c76f3a91"
 Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
 UUIDs = "cf7118a7-6976-5b1a-9a39-7adc72f591a4"
 
+[weakdeps]
+CUDA = "052768ef-5323-5732-b1bb-66c8b64840ba"
+
+[extensions]
+PauliPropagationCUDA = "CUDA"
+
 [compat]
+AcceleratedKernels = "0.4.3"
 BitIntegers = "0.3"
 Bits = "0.2"
+CUDA = "5.9.6"
 JSON = "0.21.4"
 PlotGraphviz = "0.6.3"
+ProfileCanvas = "0.1.6"
 StatsBase = "0.34"
 Test = "1.10"
 UUIDs = "1.10"

docs/make.jl

@@ -56,6 +56,7 @@ makedocs(
         # these 'lower-level' files also exist, and will
         # be grouped under an 'API' section in the navbar
         "API" => [
+            "api/PauliDataTypes.md",
             "api/PauliAlgebra.md",
             "api/Gates.md",
             "api/Circuits.md",
@@ -96,7 +97,7 @@ deploydocs(
     # - changes to the dev branch should update the /dev/ sub-domain; this seems
     #   gratuitous since specified above and since irrelevant to Github releases,
     #   but it is present in the deploydocs() doc without elaboration. Grr!
-    versions = ["stable" => "v^", "v#.#.#", "dev" => "dev"]
+    versions=["stable" => "v^", "v#.#.#", "dev" => "dev"]
 )
 
 

docs/src/api/Gates.md

@@ -16,6 +16,14 @@ Pages = ["src/Gates/paulirotations.jl"]
 Order = [:type, :function, :constant]
 ```
 
+## Imaginary Pauli Rotations
+
+```@autodocs
+Modules = [PauliPropagation]
+Pages = ["src/Gates/imaginarytime.jl"]
+Order = [:type, :function, :constant]
+```
+
 ## Noise Channels
 
 ```@autodocs

docs/src/api/PauliAlgebra.md

@@ -1,12 +1,5 @@
 # Pauli Algebra
 
-## Data types
-
-```@autodocs
-Modules = [PauliPropagation]
-Pages = ["src/PauliAlgebra/datatypes.jl"]
-```
-
 ## Pauli operations
 
 ```@autodocs

docs/src/api/PauliDataTypes.md

@@ -0,0 +1,31 @@
+# Data types
+
+## PauliString
+```@autodocs
+Modules = [PauliPropagation]
+Pages = ["src/PauliDataTypes/paulistring.jl"]
+```
+
+## PauliSum
+```@autodocs
+Modules = [PauliPropagation]
+Pages = ["src/PauliDataTypes/paulisum.jl"]
+```
+
+## VectorPauliSum
+```@autodocs
+Modules = [PauliPropagation]
+Pages = ["src/PauliDataTypes/vectorpaulisum.jl"]
+```
+
+## Conversions
+```@autodocs
+Modules = [PauliPropagation]
+Pages = ["src/PauliDataTypes/conversions.jl"]
+```
+
+## AbstractPauliSum
+```@autodocs
+Modules = [PauliPropagation]
+Pages = ["src/PauliDataTypes/abstractpaulisum.jl"]
+```

docs/src/api/Propagation.md

@@ -13,3 +13,10 @@ Pages = ["src/Propagation/generics.jl"]
 Modules = [PauliPropagation]
 Pages = ["src/Propagation/specializations.jl"]
 ```
+
+## Vector Specializations
+
+```@autodocs
+Modules = [PauliPropagation]
+Pages = ["src/Propagation/vectorspecializations.jl"]
+```

examples/1-basic-example.ipynb

@@ -984,7 +984,7 @@
    "id": "e5b69738-c385-4851-afeb-348859c9e8fa",
    "metadata": {},
    "source": [
-    "This is exactly what we expect, and we could even verify those results with some of the noise channels that we have."
+    "This is exactly what we expect, and we could even verify those results with some damping operations we have. Note that **they are not valid quantum channels**!"
    ]
   },
   {
@@ -1033,9 +1033,9 @@
     }
    ],
    "source": [
-    "gx =  PauliXNoise(1)\n",
-    "gy =  PauliYNoise(1)\n",
-    "gz =  PauliZNoise(1)\n",
+    "gx =  PauliPropagation.PauliXDamping(1)\n",
+    "gy =  PauliPropagation.PauliYDamping(1)\n",
+    "gz =  PauliPropagation.PauliZDamping(1)\n",
     "\n",
     "circuit = Gate[gx, gy, gz]\n",
     "\n",
@@ -1101,26 +1101,22 @@
      ]
     },
     {
-     "ename": "LoadError",
-     "evalue": "MethodError: \u001b[0mCannot `convert` an object of type \u001b[92mVector{Float64}\u001b[39m\u001b[0m to an object of type \u001b[91mFloat64\u001b[39m\nThe function `convert` exists, but no method is defined for this combination of argument types.\n\n\u001b[0mClosest candidates are:\n\u001b[0m  convert(::Type{T}, \u001b[91m::T\u001b[39m) where T<:Number\n\u001b[0m\u001b[90m   @\u001b[39m \u001b[90mBase\u001b[39m \u001b[90m\u001b[4mnumber.jl:6\u001b[24m\u001b[39m\n\u001b[0m  convert(::Type{T}, \u001b[91m::T\u001b[39m) where T\n\u001b[0m\u001b[90m   @\u001b[39m \u001b[90mBase\u001b[39m \u001b[90m\u001b[4mBase.jl:126\u001b[24m\u001b[39m\n\u001b[0m  convert(::Type{T}, \u001b[91m::Number\u001b[39m) where T<:Number\n\u001b[0m\u001b[90m   @\u001b[39m \u001b[90mBase\u001b[39m \u001b[90m\u001b[4mnumber.jl:7\u001b[24m\u001b[39m\n\u001b[0m  ...\n",
-     "output_type": "error",
-     "traceback": [
-      "MethodError: \u001b[0mCannot `convert` an object of type \u001b[92mVector{Float64}\u001b[39m\u001b[0m to an object of type \u001b[91mFloat64\u001b[39m\nThe function `convert` exists, but no method is defined for this combination of argument types.\n\n\u001b[0mClosest candidates are:\n\u001b[0m  convert(::Type{T}, \u001b[91m::T\u001b[39m) where T<:Number\n\u001b[0m\u001b[90m   @\u001b[39m \u001b[90mBase\u001b[39m \u001b[90m\u001b[4mnumber.jl:6\u001b[24m\u001b[39m\n\u001b[0m  convert(::Type{T}, \u001b[91m::T\u001b[39m) where T\n\u001b[0m\u001b[90m   @\u001b[39m \u001b[90mBase\u001b[39m \u001b[90m\u001b[4mBase.jl:126\u001b[24m\u001b[39m\n\u001b[0m  convert(::Type{T}, \u001b[91m::Number\u001b[39m) where T<:Number\n\u001b[0m\u001b[90m   @\u001b[39m \u001b[90mBase\u001b[39m \u001b[90m\u001b[4mnumber.jl:7\u001b[24m\u001b[39m\n\u001b[0m  ...\n",
-      "",
-      "Stacktrace:",
-      " [1] setindex!(A::Vector{Float64}, x::Vector{Float64}, i::Int64)",
-      "   @ Base ./array.jl:987",
-      " [2] top-level scope",
-      "   @ In[31]:5"
-     ]
+     "data": {
+      "text/plain": [
+       "Vector{Float64}\u001b[90m (alias for \u001b[39m\u001b[90mArray{Float64, 1}\u001b[39m\u001b[90m)\u001b[39m"
+      ]
+     },
+     "execution_count": 31,
+     "metadata": {},
+     "output_type": "execute_result"
     }
    ],
    "source": [
     "thetas = randn(nparams)\n",
     "@show typeof(thetas)\n",
     "\n",
     "# this doesn't work because thetas is already strictly typed to Float64 entries\n",
-    "thetas[2] = pvec"
+    "# thetas[2] = pvec"
    ]
   },
   {