From 929f3466ff6d6d78289fb9a956d77087ddcf853d Mon Sep 17 00:00:00 2001 From: Peter Doak Date: Thu, 24 Sep 2026 18:23:07 +0000 Subject: [PATCH 1/2] remove Rel output for unmapped symmetry operation output is retained with a clear header in Deubg --- .../set_symmetry_matrices.hpp | 24 ++++++++++++------- 1 file changed, 16 insertions(+), 8 deletions(-) diff --git a/include/dca/phys/domains/cluster/symmetrization_algorithms/set_symmetry_matrices.hpp b/include/dca/phys/domains/cluster/symmetrization_algorithms/set_symmetry_matrices.hpp index b4b2d14c8..cd7ee694d 100644 --- a/include/dca/phys/domains/cluster/symmetrization_algorithms/set_symmetry_matrices.hpp +++ b/include/dca/phys/domains/cluster/symmetrization_algorithms/set_symmetry_matrices.hpp @@ -13,6 +13,7 @@ #define DCA_PHYS_DOMAINS_CLUSTER_SYMMETRIZATION_ALGORITHMS_SET_SYMMETRY_MATRICES_HPP #include +#include #include #include @@ -107,10 +108,20 @@ void set_symmetry_matrices::set_r_symmetry_matrix() { } } +#ifndef NDEBUG + // A missing pair means this candidate operation cannot map the transformed cluster site + // and orbital onto a site with the required flavor. Keep the (-1, -1) sentinel: the + // point-group validation subsequently rejects this operation. The details below are + // useful when diagnosing lattice/orbital conventions, but must not pollute production + // output while candidate point groups are being probed. if (symmetry_matrix(i, j, l).first == -1 or symmetry_matrix(i, j, l).second == -1) { + std::cout << "[debug] No (r_ind, b_ind) mapping symmetry_matrix(" << i << ", " << j + << ", " << l + << "): the candidate operation is not a valid symmetry for " + "this cluster/orbital flavor.\n"; + std::vector r_plus_a = math::util::add(r_dmn_t::get_elements()[i], b_dmn_t::get_elements()[j].a_vec); - std::vector trafo_r_plus_a(DIMENSION, 0); std::vector trafo_r_plus_a_in_cluster(DIMENSION, 0); @@ -134,10 +145,8 @@ void set_symmetry_matrices::set_r_symmetry_matrix() { std::cout << "\n\n"; sym_super_cell_dmn_t::get_elements()[l].to_JSON(std::cout); - - // assert(false); - // throw std::logic_error(__FUNCTION__); } +#endif } } } @@ -152,8 +161,7 @@ void set_symmetry_matrices::set_k_symmetry_matrix() { sym_super_cell_dmn_t>>& k_symmetry_matrix = cluster_symmetry::get_symmetry_matrix(); // k_cluster_type::get_symmetry_matrix(); - func::function, sym_super_cell_dmn_t>>& + func::function, sym_super_cell_dmn_t>>& fold_phase = cluster_symmetry::get_fold_phase(); func::function>& mapped_point = @@ -174,8 +182,8 @@ void set_symmetry_matrices::set_k_symmetry_matrix() { k_symmetry_matrix(i, j, l).second = r_symmetry_matrix(i, j, l).second; // mapped_point is the same k-image, promoted to a band-independent accessor. trafo_k (hence - // k_image) is computed from the momentum alone, so it does not depend on the band j; store it - // once (j == 0) to make that independence explicit. + // k_image) is computed from the momentum alone, so it does not depend on the band j; store + // it once (j == 0) to make that independence explicit. if (j == 0) mapped_point(i, l) = k_image; From 3a4c2644ccc745c428bdb6d51a90a0a698e94840 Mon Sep 17 00:00:00 2001 From: Peter Doak Date: Thu, 24 Sep 2026 14:41:26 -0400 Subject: [PATCH 2/2] grammar fix --- .../cluster/symmetrization_algorithms/set_symmetry_matrices.hpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/include/dca/phys/domains/cluster/symmetrization_algorithms/set_symmetry_matrices.hpp b/include/dca/phys/domains/cluster/symmetrization_algorithms/set_symmetry_matrices.hpp index cd7ee694d..32fd06473 100644 --- a/include/dca/phys/domains/cluster/symmetrization_algorithms/set_symmetry_matrices.hpp +++ b/include/dca/phys/domains/cluster/symmetrization_algorithms/set_symmetry_matrices.hpp @@ -115,7 +115,7 @@ void set_symmetry_matrices::set_r_symmetry_matrix() { // useful when diagnosing lattice/orbital conventions, but must not pollute production // output while candidate point groups are being probed. if (symmetry_matrix(i, j, l).first == -1 or symmetry_matrix(i, j, l).second == -1) { - std::cout << "[debug] No (r_ind, b_ind) mapping symmetry_matrix(" << i << ", " << j + std::cout << "[debug] No (r_ind, b_ind) mapping for symmetry_matrix(" << i << ", " << j << ", " << l << "): the candidate operation is not a valid symmetry for " "this cluster/orbital flavor.\n";