clean up toml

Project.toml

@@ -5,24 +5,25 @@ version = "0.2.3"
 
 [deps]
 CSV = "336ed68f-0bac-5ca0-87d4-7b16caf5d00b"
+CUDA = "052768ef-5323-5732-b1bb-66c8b64840ba"
 DocStringExtensions = "ffbed154-4ef7-542d-bbb7-c09d3a79fcae"
 LabelledGraphs = "605abd48-4d17-4660-b914-d4df33194460"
 LightGraphs = "093fc24a-ae57-5d10-9952-331d41423f4d"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 MKL = "33e6dc65-8f57-5167-99aa-e5a354878fb2"
 MetaGraphs = "626554b9-1ddb-594c-aa3c-2596fe9399a5"
-SparseArrays = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
 NNlibCUDA = "a00861dc-f156-4864-bf3c-e6376f28a68d"
-CUDA = "052768ef-5323-5732-b1bb-66c8b64840ba"
+SparseArrays = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
+TensorCast = "02d47bb6-7ce6-556a-be16-bb1710789e2b"
 
 [compat]
 CSV = "0.8"
 DocStringExtensions = "0.8"
 LabelledGraphs = "0.3.2"
 LightGraphs = "1.3"
+MKL = "0.4.2"
 MetaGraphs = "0.6"
 julia = "1.5, 1.6, 1.7"
-MKL = "0.4.2"
 
 [extras]
 Logging = "56ddb016-857b-54e1-b83d-db4d58db5568"

src/ising.jl

@@ -25,21 +25,21 @@ $(TYPEDSIGNATURES)
 
 Create an Ising graph from interaction data.
 
-This function creates an Ising graph from interaction data provided in the form of an `inst` argument. 
+This function creates an Ising graph from interaction data provided in the form of an `inst` argument.
 The Ising graph represents a system of spins, where each spin is associated with a vertex, and interactions between spins are represented as edges with corresponding weights.
 
 # Arguments:
 - `::Type{T}`: The type of the edge weights, typically `Float64` or `Float32`.
-- `inst::Instance`: Interaction data, which can be either a file path to a CSV file or a collection of triples `(i, j, J)` 
+- `inst::Instance`: Interaction data, which can be either a file path to a CSV file or a collection of triples `(i, j, J)`
 representing interactions between spins, where `i` and `j` are spin indices, and `J` is the interaction strength.
 - `scale::Real`: A scaling factor applied to interaction strengths (default is 1).
 - `rank_override::Dict`: A dictionary specifying the rank (number of states) for each vertex. If not provided, a default rank of 2 is used for all vertices.
 
 # Returns:
 - `ig::IsingGraph{T}`: The Ising graph representing the spin system.
 
-The function reads interaction data and constructs an Ising graph `ig`. 
-It assigns interaction strengths to edges between spins and optionally scales them by the `scale` factor. 
+The function reads interaction data and constructs an Ising graph `ig`.
+It assigns interaction strengths to edges between spins and optionally scales them by the `scale` factor.
 The `rank_override` dictionary can be used to specify the rank (number of states) for individual vertices, allowing customization of the Ising model.
 Convention: H = scale * sum_{i, j} (J_{ij} * s_i * s_j + J_{ii} * s_i)
 """
@@ -81,7 +81,7 @@ $(TYPEDSIGNATURES)
 
 Return the coupling strengths between vertices of an Ising graph.
 
-This function computes and returns the coupling strengths (interaction energies) between pairs of vertices in an Ising graph `ig`. 
+This function computes and returns the coupling strengths (interaction energies) between pairs of vertices in an Ising graph `ig`.
 The coupling strengths are represented as a matrix, where each element `(i, j)` corresponds to the interaction energy between vertex `i` and vertex `j`.
 
 # Arguments:
@@ -108,9 +108,9 @@ $(TYPEDSIGNATURES)
 
 Return the dense adjacency matrix between clusters of vertices in an Ising graph.
 
-This function computes and returns the dense adjacency matrix `J` between clusters of vertices represented by two 
-Ising graphs, `cl1` and `cl2`, within the context of the larger Ising graph `ig`. 
-The adjacency matrix represents the interaction strengths between clusters of vertices, 
+This function computes and returns the dense adjacency matrix `J` between clusters of vertices represented by two
+Ising graphs, `cl1` and `cl2`, within the context of the larger Ising graph `ig`.
+The adjacency matrix represents the interaction strengths between clusters of vertices,
 where each element `(i, j)` corresponds to the interaction strength between cluster `i` in `cl1` and cluster `j` in `cl2`.
 
 # Arguments:
@@ -122,7 +122,7 @@ where each element `(i, j)` corresponds to the interaction strength between clus
 - `outer_edges::Vector{LabelledEdge}`: A vector of labeled edges representing the interactions between clusters.
 - `J::Matrix{T}`: A dense adjacency matrix representing interaction strengths between clusters.
 
-The function first identifies the outer edges that connect vertices between the two clusters in the context of the larger Ising graph `ig`. 
+The function first identifies the outer edges that connect vertices between the two clusters in the context of the larger Ising graph `ig`.
 It then computes the interaction strengths associated with these outer edges and populates the dense adjacency matrix `J` accordingly.
 """
 function inter_cluster_edges(ig::IsingGraph{T}, cl1::IsingGraph{T}, cl2::IsingGraph{T}) where T
@@ -141,8 +141,8 @@ $(TYPEDSIGNATURES)
 Used only in MPS_search, would be obsolete if MPS_search uses QMps.
 Remove non-existing spins from an Ising graph.
 
-This function removes non-existing spins from the given Ising graph `ig`. 
-Non-existing spins are those that have zero degree (no connections to other spins) and also have an external 
+This function removes non-existing spins from the given Ising graph `ig`.
+Non-existing spins are those that have zero degree (no connections to other spins) and also have an external
 magnetic field (`h`) that is not approximately equal to zero within the specified tolerance `atol`.
 
 # Arguments: