Major additions

CMakeLists.txt

@@ -33,4 +33,5 @@ if (UNIT_TESTING)
 endif()
 
 add_subdirectory(src)
+add_subdirectory(libs)
 set_property(DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR} PROPERTY VS_STARTUP_PROJECT grouper)

LICENSE.txt

@@ -1,6 +1,6 @@
 MIT License
 
-Copyright (c) 2023 Mc-Zen
+Copyright (c) 2023-2025 Mc-Zen
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal

data/config water.txt

@@ -0,0 +1,22 @@
+# Configure your problem here.
+
+# The filenames may be absolute: e.g., C:\Users\me\Desktop\myhamiltonian.txt)
+# or relative to the data/ directory in the repository: e.g., ../myfolder/myhamiltonian.txt
+
+
+
+
+filename = hamiltonians/water/water_361g_star_bk_1914.json                # where to read the hamiltonian data from 
+outfilename = grouping_result/water/water_361g_star_bk_1914.json  # where to output the grouping
+connectivity = connectivities/linear.txt     # which connectivity file to use
+
+
+
+numGraphs = 100            # Hyperparameter: Maximum number of random subgraphs
+maxEdgeCount = 1000              # Hyperparameter: Maximum number of edges for subgraphs
+sortGraphsByEdgeCount = true     # Sort possible subgraphs by edge count so graphs with lower edge count are preferred
+extractComputationalBasis = true # Pre-eliminate Paulis in the computational basis like IIZ, ZIZ, ZZZ, ...
+
+
+
+numThreads = 8                   # option for multithreading

data/config.txt

@@ -7,16 +7,17 @@
 
 
 filename = hamiltonians/examples/H4_bk.json                # where to read the hamiltonian data from 
-outfilename = grouping_result/examples/H4_bk_example.json  # where to output the grouping
-connectivity = connectivities/default_connectivity.txt     # which connectivity file to use
+outfilename = grouping_result/examples1/H4_bk.json  # where to output the grouping
+connectivity = connectivities/linear.txt     # which connectivity file to use
 
 
 
-numGraphs = 100000000            # Hyperparameter: Maximum number of random subgraphs
+numGraphs = 1000            # Hyperparameter: Maximum number of random subgraphs
 maxEdgeCount = 1000              # Hyperparameter: Maximum number of edges for subgraphs
 sortGraphsByEdgeCount = true     # Sort possible subgraphs by edge count so graphs with lower edge count are preferred
 extractComputationalBasis = true # Pre-eliminate Paulis in the computational basis like IIZ, ZIZ, ZZZ, ...
+intermediateFileFrequency = 0    # If != 0, an output file is written in the form <filename>_savingpoint_X.<extension> for every nth group
 
 
 
-numThreads = 8                   # option for multithreading
+numThreads = 1                   # option for multithreading

data/connectivities/empty.txt

@@ -0,0 +1 @@
+empty

data/connectivities/grid38_linear_compatible.txt

@@ -0,0 +1,38 @@
+0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 1 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 1 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+1 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1
+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0

data/connectivities/linear.txt

@@ -0,0 +1 @@
+linear

data/connectivities/square-lattice.txt

@@ -1,15 +1 @@
-# The connectivity may be either a type or an adjacency matrix
-
-# Allowed types are: linear, cycle, star. 
-# For these, the correct number of qubits is inferred from the input data
-
-# The adjacency matrix is specified by zeros and ones, e.g.
-#
-# 0 1 0 0 0
-# 1 0 1 0 0
-# 0 1 0 1 0
-# 0 0 1 0 1
-# 0 0 0 1 0
-#
-
 square-lattice

libs/CMakeLists.txt

@@ -0,0 +1 @@
+add_subdirectory(fmt)

libs/fmt/CMakeLists.txt

@@ -0,0 +1,12 @@
+set(target fmt)
+
+add_library(${target} 
+	core.h
+	format.h
+	format-inl.h
+	color.h
+	ranges.h
+	format.cc
+)
+
+target_include_directories(${target} PUBLIC "${CMAKE_CURRENT_LIST_DIR}/..")