From b7a0824bc86af2beed31e3217d550540e00ce972 Mon Sep 17 00:00:00 2001
From: fbischoff <florian.bischoff@hu-berlin.de>
Date: Tue, 2 Apr 2024 09:38:59 +0200
Subject: [PATCH] mp3 working with macrotasks and frozen core

---
 src/madness/chem/mp3.h | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/src/madness/chem/mp3.h b/src/madness/chem/mp3.h
index 3c0a7328c15..b31c4eb27e2 100644
--- a/src/madness/chem/mp3.h
+++ b/src/madness/chem/mp3.h
@@ -108,9 +108,10 @@ class MP3 : public CCPotentials {
             } else {
                 MADNESS_CHECK(partitioner->dimension==2);
                 MADNESS_CHECK(j_vec.size()==ij_vec.size());
-                i=batch.input[0].begin;
-                j=batch.input[1].begin;
+                i=batch.input[0].begin+parameters.freeze();
+                j=batch.input[1].begin+parameters.freeze();
             }
+            print("i,j,parameters.freeze()=",i,j,parameters.freeze());
 
             // convert vector of vectors back to Pairs
             PairVectorMap square_map=PairVectorMap::quadratic_map(parameters.freeze(),mo_ket.size());