port nh fixes to KOKKOS

2018-07-24 10:48:06 -04:00
parent 3495141dbe
commit 57ad197b7d
1 changed files with 1 additions and 1 deletions
--- 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])