Merge branch 'master' into granular-kokkos

2018-08-20 22:02:41 -04:00
parent 5412204ff7 2c19079707
commit cca1e0a399
752 changed files with 15227 additions and 13212 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])