diff --git a/src/USER-REAXC/fix_reaxc_species.cpp b/src/USER-REAXC/fix_reaxc_species.cpp index 8546ac54c3529b6c47c7a3de4257cd69aff23705..c223859b255ea5a3ae5c8ad3b15075e7cb14a035 100644 --- a/src/USER-REAXC/fix_reaxc_species.cpp +++ b/src/USER-REAXC/fix_reaxc_species.cpp @@ -77,7 +77,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) : // but may be updated when no averaging is performed. int rene_flag = 0; - if (nfreq % neighbor->every != 0 || neighbor->every < nevery * nrepeat) { + if (nevery * nrepeat != 1 && (nfreq % neighbor->every != 0 || neighbor->every < nevery * nrepeat)) { int newneighborevery = nevery * nrepeat; while (nfreq % newneighborevery != 0 && newneighborevery <= nfreq / 2) newneighborevery++; @@ -89,7 +89,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) : rene_flag = 1; } - if (neighbor->delay != 0 || neighbor->dist_check != 0) { + if (nevery * nrepeat != 1 && (neighbor->delay != 0 || neighbor->dist_check != 0)) { neighbor->delay = 0; neighbor->dist_check = 0; rene_flag = 1;