From cecc6ebcbd30de9ae5626572ef600a9d80d187db Mon Sep 17 00:00:00 2001 From: David Williams-Young Date: Mon, 4 Dec 2023 15:47:10 -0800 Subject: [PATCH] Add pruning back to search --- include/macis/asci/determinant_search.hpp | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/include/macis/asci/determinant_search.hpp b/include/macis/asci/determinant_search.hpp index e8e2cc1e..4425b8fd 100644 --- a/include/macis/asci/determinant_search.hpp +++ b/include/macis/asci/determinant_search.hpp @@ -371,7 +371,13 @@ asci_contrib_container> asci_contributions_constraint( // Prune Down Contributions if(asci_pairs.size() > asci_settings.pair_size_max) { - throw std::runtime_error("DIE DIE DIE"); + logger->info(" * PRUNING AT CON = {} IALPHA = {}", + ic, i_alpha); + auto uit = sort_and_accumulate_asci_pairs( + asci_pairs.begin() + size_before, asci_pairs.end()); + asci_pairs.erase(uit, asci_pairs.end()); + if(asci_pairs.size() > asci_settings.pair_size_max) + throw std::runtime_error("DIE DIE DIE"); } } // Unique Alpha Loop