From 57ad197b7d2a3e0adeab565f9dc74d84650d9412 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 24 Jul 2018 10:48:06 -0400
Subject: [PATCH] port nh fixes to KOKKOS
---
src/KOKKOS/fix_nh_kokkos.cpp | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/src/KOKKOS/fix_nh_kokkos.cpp b/src/KOKKOS/fix_nh_kokkos.cpp
index 679690ea82..347177b7f4 100644
--- a/src/KOKKOS/fix_nh_kokkos.cpp
+++ b/src/KOKKOS/fix_nh_kokkos.cpp
@@ -148,7 +148,7 @@ void FixNHKokkos<DeviceType>::setup(int vflag)
if (pstat_flag) {
double kt = boltz * t_target;
- double nkt = atom->natoms * kt;
+ double nkt = (atom->natoms + 1) * kt;
for (int i = 0; i < 3; i++)
if (p_flag[i])
--
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