energy/virial flags with CENTROID enum

2020-11-18 12:17:14 -07:00
parent 35035189e6
commit 0876684780
74 changed files with 362 additions and 262 deletions
--- a/src/fix.cpp
+++ b/src/fix.cpp
@ -104,7 +104,8 @@ Fix::Fix(LAMMPS *lmp, int /*narg*/, char **arg) :

  maxeatom = maxvatom = 0;
  vflag_atom = 0;
-
+  centroidstressflag = CENTROID_SAME;
+  
  // KOKKOS per-fix data masks

  execution_space = Host;