From fa2600697da4936c2090edb14e4b1561633ff4b5 Mon Sep 17 00:00:00 2001
From: fbischoff <florian.bischoff@hu-berlin.de>
Date: Thu, 17 Oct 2024 15:35:43 +0200
Subject: [PATCH] reconstruct coupling vector in mp2

---
 src/madness/chem/CC2.cc | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/madness/chem/CC2.cc b/src/madness/chem/CC2.cc
index 735b866f8c7..ae3db7f4b55 100644
--- a/src/madness/chem/CC2.cc
+++ b/src/madness/chem/CC2.cc
@@ -417,6 +417,7 @@ double CC2::solve_mp2_coupled(Pairs<CCPair>& doubles, Info& info) {
         // compute the coupling between the pair functions
         Pairs<real_function_6d> coupling=compute_local_coupling(pair_vec, info);
         auto coupling_vec=Pairs<real_function_6d>::pairs2vector(coupling,triangular_map);
+        change_tree_state(coupling_vec, reconstructed);
         if (parameters.debug()) print_size(world, coupling_vec, "couplingvector");