Reorganizing peratom arrays

2023-03-22 17:27:51 -06:00
parent 99e7673e8e
commit bad1188c52
8 changed files with 162 additions and 118 deletions
--- a/src/RHEO/fix_rheo.cpp
+++ b/src/RHEO/fix_rheo.cpp
@ -313,7 +313,7 @@ void FixRHEO::initial_integrate(int /*vflag*/)

  // Shifting atoms
  if (shift_flag) {
-    compute_vshift->correct_surfaces();
+    compute_vshift->correct_surfaces(); // COuld this be moved to preforce after the surface fix runs?
    for (i = 0; i < nlocal; i++) {

      if (!(status[i] & STATUS_SHIFT)) continue;