From f128de7dd0ef6cdd83297399910b287a87ab909b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 13 Jun 2023 15:13:16 -0400
Subject: [PATCH] Bugfix from @ndtrung81 for indexing bug when tallying
 per-atom Coulomb energy

---
 lib/gpu/lal_answer.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/lib/gpu/lal_answer.cpp b/lib/gpu/lal_answer.cpp
index 1911be8431..fc8e2cfe7a 100644
--- a/lib/gpu/lal_answer.cpp
+++ b/lib/gpu/lal_answer.cpp
@@ -260,10 +260,10 @@ double AnswerT::energy_virial(double *eatom, double **vatom,
     ecoul+=ecv;
     if (_ef_atom) {
       if (_ilist==nullptr) {
-        for (int i=0; i<_ev_stride; i++)
-          eatom[i]+=engv[i];
-        for (int i=_ev_stride; i<iend; i++)
-          eatom[i]+=engv[i];
+        for (int i=0, ii=0; i<_ev_stride; i++)
+          eatom[ii++]+=engv[i];
+        for (int i=_ev_stride, ii=0; i<iend; i++)
+          eatom[ii++]+=engv[i];
       } else {
         for (int i=0, ii=0; i<_ev_stride; i++)
           eatom[_ilist[ii++]]+=engv[i];