alternate fix for tag caching issue in INTEL package

2022-01-25 07:39:37 -05:00
parent f9a2006d73
commit 35dbabd471
3 changed files with 4 additions and 4 deletions
--- a/src/INTEL/fix_intel.cpp
+++ b/src/INTEL/fix_intel.cpp
@ -447,7 +447,7 @@ void FixIntel::pair_init_check(const bool cdmessage)
  #endif

  int need_tag = 0;
-  if (atom->molecular != Atom::ATOMIC) need_tag = 1;
+  if (atom->molecular != Atom::ATOMIC || three_body_neighbor()) need_tag = 1;

  // Clear buffers used for pair style
  char kmode[80];