changed syntax for virial tallying in standard package fixes

2021-01-21 15:12:16 -07:00
parent b5525a19bc
commit c091515427
9 changed files with 19 additions and 34 deletions
--- a/src/KOKKOS/fix_shake_kokkos.cpp
+++ b/src/KOKKOS/fix_shake_kokkos.cpp
@ -331,8 +331,7 @@ void FixShakeKokkos<DeviceType>::post_force(int vflag)

  // virial setup

-  if (vflag) v_setup(vflag);
-  else evflag = 0;
+  v_init(vflag);

  // reallocate per-atom arrays if necessary