From 49cfa480b9a734d3b4364e959e9068e5ff5f5ea9 Mon Sep 17 00:00:00 2001 From: "Peter Doak (epd)" Date: Fri, 4 Oct 2024 17:47:25 -0400 Subject: [PATCH 1/2] fix HInteractions to include minus_r terms --- .../phys/models/analytic_hamiltonians/util.hpp | 18 ++++++++++++------ 1 file changed, 12 insertions(+), 6 deletions(-) diff --git a/include/dca/phys/models/analytic_hamiltonians/util.hpp b/include/dca/phys/models/analytic_hamiltonians/util.hpp index 72880b44f..3b3c97eaf 100644 --- a/include/dca/phys/models/analytic_hamiltonians/util.hpp +++ b/include/dca/phys/models/analytic_hamiltonians/util.hpp @@ -53,8 +53,14 @@ void initializeSingleBandHint( for (const auto& vec : nn_vec) { std::vector nn_vec_translated = domains::cluster_operations::translate_inside_cluster(vec, super_basis); - nn_index.push_back( - domains::cluster_operations::index(nn_vec_translated, elements, domains::BRILLOUIN_ZONE)); + int r = domains::cluster_operations::index(nn_vec_translated, elements, domains::BRILLOUIN_ZONE); + int minus_r = RDmn::parameter_type::subtract(r, origin); + + // Ensure that r and minus_r are added only if they are distinct + nn_index.push_back(r); + if (r != minus_r) { + nn_index.push_back(minus_r); + } } // Set all elements to zero. @@ -82,9 +88,9 @@ void initializeSingleBandHint( H_int(0, 1, 0, 0, origin) = U; } -} // util -} // models -} // phys -} // dca +} // namespace util +} // namespace models +} // namespace phys +} // namespace dca #endif // DCA_PHYS_MODELS_ANALYTIC_HAMILTONIANS_UTIL_HPP From 970a90ac8ff8ec730e265c10ac47de067dc2fa01 Mon Sep 17 00:00:00 2001 From: Doak P W Date: Fri, 11 Oct 2024 12:39:56 -0400 Subject: [PATCH 2/2] ci hostname wrong --- test/test_automation/ci/run_step.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/test_automation/ci/run_step.sh b/test/test_automation/ci/run_step.sh index f2bedd5b0..68b406eb5 100755 --- a/test/test_automation/ci/run_step.sh +++ b/test/test_automation/ci/run_step.sh @@ -54,7 +54,7 @@ case "$1" in esac # Path to QMC_DATA in self-hosted CI system and point at minimum gcc-9 - if [[ "$HOST_NAME" =~ (v100-ci) ]] + if [[ "$HOST_NAME" =~ (v100-again) ]] then # use gcc-12 export PATH=/home/epd/spack/opt/spack/linux-ubuntu20.04-cascadelake/gcc-12.2.0/gcc-12.2.0-cx7pjxgmemcce4tohlmsekuo5qvgjqbl/bin:/home/epd/spack/opt/spack/linux-ubuntu20.04-cascadelake/gcc-12.2.0/ninja-1.11.1-plzpokehn3kdbcviteppqntkqun5752f/bin:/home/epd/spack/opt/spack/linux-ubuntu20.04-cascadelake/gcc-12.2.0/cmake-3.25.0-xlxorwhfz5jxpyx65ypsh2horyo7n3ef/bin:$PATH