Cleaning up math, fixing tension bug, patching bond creation

2024-02-23 13:26:28 -07:00
parent 70ea1dd352
commit b3de75da97
4 changed files with 90 additions and 52 deletions
--- a/src/RHEO/fix_rheo.cpp
+++ b/src/RHEO/fix_rheo.cpp
@ -422,12 +422,6 @@ void FixRHEO::pre_force(int /*vflag*/)
    if (mask[i] & groupbit)
      status[i] &= OPTIONSMASK;

-  // Reinstate temporary options
-  for (int i = 0; i < nall; i++)
-    if (mask[i] & groupbit)
-      if (status[i] & STATUS_SOLID)
-        status[i] |= STATUS_NO_SHIFT;
-
  // Calculate surfaces, update status
  if (surface_flag) {
    compute_surface->compute_peratom();