Symmetrization M0: add characterization harness, capture multi-band bug

test/integration/CMakeLists.txt

@@ -4,6 +4,7 @@ add_subdirectory(exact_diagonalization_advanced)
 add_subdirectory(fourier_transform)
 add_subdirectory(interpolation)
 add_subdirectory(phys/lattice_mapping)
+add_subdirectory(phys/symmetrization)
 add_subdirectory(math/statistical_testing)
 add_subdirectory(nfft)
 add_subdirectory(parallel/mpi_concurrency)

test/integration/phys/symmetrization/CMakeLists.txt

@@ -0,0 +1,32 @@
+# Symmetrization characterization harness
+
+# Test binaries for derived symmetrization. One binary per (lattice, point group)
+# case: the DCA domain + cluster-symmetry singletons are keyed on dimension/role,
+# not on the lattice, so cases of the same dimension cannot coexist in one process.
+# Each case is selected from the shared source via TEST_DEFINES.
+dca_add_gtest(symmetrize_characterization_square_D4_test
+        FAST
+        GTEST_MPI_MAIN
+        INCLUDE_DIRS ${DCA_INCLUDES};${PROJECT_SOURCE_DIR};${FFTW_INCLUDE_DIR}
+        LIBS  ${DCA_LIBS}
+        CUSTOM_SOURCE symmetrize_characterization_test.cpp
+        TEST_DEFINES SquareD4
+        )
+
+dca_add_gtest(symmetrize_characterization_threeband_D4_test
+        FAST
+        GTEST_MPI_MAIN
+        INCLUDE_DIRS ${DCA_INCLUDES};${PROJECT_SOURCE_DIR};${FFTW_INCLUDE_DIR}
+        LIBS  ${DCA_LIBS}
+        CUSTOM_SOURCE symmetrize_characterization_test.cpp
+        TEST_DEFINES ThreebandD4
+        )
+
+dca_add_gtest(symmetrize_characterization_singleband_chain_test
+        FAST
+        GTEST_MPI_MAIN
+        INCLUDE_DIRS ${DCA_INCLUDES};${PROJECT_SOURCE_DIR};${FFTW_INCLUDE_DIR}
+        LIBS  ${DCA_LIBS}
+        CUSTOM_SOURCE symmetrize_characterization_test.cpp
+        TEST_DEFINES SinglebandChain
+        )

test/integration/phys/symmetrization/singleband_chain_input.json

@@ -0,0 +1,31 @@
+{
+  "physics": {
+    "beta"                      :  1.,
+    "chemical-potential"        : 0.
+  },
+
+  "singleband-chain-model":
+  {
+    "t"        : 1.,
+    "U"        : 4.
+  },
+
+  "domains": {
+    "real-space-grids": {
+      "cluster": [[2, 0], [0, 2]],
+      "sp-host": [[8, 0], [0, 8]]
+    },
+
+    "imaginary-time": {
+      "sp-time-intervals": 128
+    },
+
+    "imaginary-frequency": {
+      "sp-fermionic-frequencies": 64
+    }
+  },
+
+  "DCA": {
+    "interacting-orbitals": [0]
+  }
+}

test/integration/phys/symmetrization/square_D4_input.json

@@ -0,0 +1,31 @@
+{
+  "physics": {
+    "beta"                      :  1.,
+    "chemical-potential"        : 0.
+  },
+
+  "single-band-Hubbard-model":
+  {
+    "t"       : 1.,
+    "U"       : 4.
+  },
+
+  "domains": {
+    "real-space-grids": {
+      "cluster": [[2, 0], [0, 2]],
+      "sp-host": [[8, 0], [0, 8]]
+    },
+
+    "imaginary-time": {
+      "sp-time-intervals": 128
+    },
+
+    "imaginary-frequency": {
+      "sp-fermionic-frequencies": 64
+    }
+  },
+
+  "DCA": {
+    "interacting-orbitals": [0]
+  }
+}