support dynamic groups, but only if nrepeat == 1

2022-08-12 10:45:35 -04:00
parent 208caacb89
commit 12c28c393d
1 changed files with 1 additions and 0 deletions
--- a/src/REAXFF/fix_reaxff_species.cpp
+++ b/src/REAXFF/fix_reaxff_species.cpp
@ -68,6 +68,7 @@ FixReaxFFSpecies::FixReaxFFSpecies(LAMMPS *lmp, int narg, char **arg) : Fix(lmp,
  nevery = utils::inumeric(FLERR, arg[3], false, lmp);
  nrepeat = utils::inumeric(FLERR, arg[4], false, lmp);
  global_freq = nfreq = utils::inumeric(FLERR, arg[5], false, lmp);
+  if (nrepeat == 1) dynamic_group_allow = 1;

  comm_forward = 4;