change g3w to follow block2_gf

TRIQS · Nov 27, 2024 · 83360af · 83360af
1 parent 76c3d9d
commit 83360af
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Showing 4 changed files with 29 additions and 10 deletions.
diff --git a/c++/triqs_ctseg/measures/four_point.cpp b/c++/triqs_ctseg/measures/four_point.cpp
@@ -23,9 +23,9 @@ namespace triqs_ctseg::measures {
   four_point::four_point(params_t const &p, work_data_t const &wdata, configuration_t const &config, results_t &results)
      : wdata{wdata}, config{config}, results{results} {
 
-    beta        = p.beta;
-    measure_g3w = p.measure_g3w;
-    measure_f3w = p.measure_f3w;
+    beta           = p.beta;
+    measure_g3w    = p.measure_g3w;
+    measure_f3w    = p.measure_f3w;
 
     auto g3w_vec = [&]() {
       std::vector<gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>> green_v;
@@ -39,7 +39,6 @@ namespace triqs_ctseg::measures {
       return green_v;
     };
 
-    std::vector<std::string> block_names;
     for (auto const &[bl_name, bl_size] : wdata.gf_struct) block_names.push_back(bl_name);
     auto bosonic_block_names = std::vector<std::string>{};
     for (auto const &str1 : block_names)
@@ -162,12 +161,31 @@ namespace triqs_ctseg::measures {
     if (measure_g3w) {
       g3w = mpi::all_reduce(g3w, c);
       g3w = g3w / (Z * beta);
-      results.g3w = std::move(g3w);
+
+      std::vector<std::vector<gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>>> g3w_vec(wdata.gf_struct.size(), std::vector<gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>>(wdata.gf_struct.size()));
+      for (int b1 : range(wdata.gf_struct.size())) {
+        for (int b2 : range(wdata.gf_struct.size())) {
+          g3w_vec[b1][b2] = g3w[b1 * wdata.gf_struct.size() + b2];
+        }
+      }
+
+      auto g3w_block = make_block2_gf(block_names, block_names, g3w_vec);
+      results.g3w = std::move(g3w_block);
     }
+
     if (measure_f3w) {
       f3w = mpi::all_reduce(f3w, c);
       f3w = f3w / (Z * beta);
-      results.f3w = std::move(f3w);
+
+      std::vector<std::vector<gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>>> f3w_vec(wdata.gf_struct.size(), std::vector<gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>>(wdata.gf_struct.size()));
+      for (int b1 : range(wdata.gf_struct.size())) {
+        for (int b2 : range(wdata.gf_struct.size())) {
+          f3w_vec[b1][b2] = f3w[b1 * wdata.gf_struct.size() + b2];
+        }
+      }
+
+      auto f3w_block = make_block2_gf(block_names, block_names, f3w_vec);
+      results.f3w = std::move(f3w_block);
     }
 
   }

diff --git a/c++/triqs_ctseg/measures/four_point.hpp b/c++/triqs_ctseg/measures/four_point.hpp
@@ -33,6 +33,7 @@ namespace triqs_ctseg::measures {
     bool measure_f3w;
     int n_w_fermionic;
     int n_w_bosonic;
+    std::vector<std::string> block_names;
     std::vector<array<dcomplex, 4>> Mw_vector, nMw_vector;
     vector<dcomplex> y_exp_ini, y_exp_inc, x_exp_ini, x_exp_inc;
     vector<int> y_inner_index, x_inner_index;

diff --git a/c++/triqs_ctseg/results.hpp b/c++/triqs_ctseg/results.hpp
@@ -61,10 +61,10 @@ namespace triqs_ctseg {
     std::optional<nda::vector<double>> state_hist;
 
     /// Four-point correlation function
-    std::optional<block_gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>> g3w;
+    std::optional<block2_gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>> g3w;
 
     /// Four-point correlation function improved estimator
-    std::optional<block_gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>> f3w;
+    std::optional<block2_gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>> f3w;
 
     /// Average sign
     double average_sign;

diff --git a/python/triqs_ctseg/solver_core_desc.py b/python/triqs_ctseg/solver_core_desc.py
@@ -92,12 +92,12 @@
              doc = r"""State histogram""")
 
 c.add_member(c_name = "g3w",
-             c_type = "std::optional<block_gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>>",
+             c_type = "std::optional<block2_gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>>",
              read_only= True,
              doc = r"""Four-point correlation function""")
 
 c.add_member(c_name = "f3w",
-             c_type = "std::optional<block_gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>>",
+             c_type = "std::optional<block2_gf<prod<imfreq, imfreq, imfreq>, tensor_valued<4>>>",
              read_only= True,
              doc = r"""Four-point correlation function improved estimator""")