diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp index da08133134..c6c68e6cab 100644 --- a/src/REPLICA/fix_neb.cpp +++ b/src/REPLICA/fix_neb.cpp @@ -220,7 +220,7 @@ void FixNEB::init() if (atom->natoms > MAXSMALLINT) error->all(FLERR,"Too many atoms for NEB"); ntotal = atom->natoms; - if (atom->nlocal > maxlocal) reallocate(); + if (atom->nmax > maxlocal) reallocate(); if (MULTI_PROC && counts == NULL) { memory->create(xsendall,ntotal,3,"neb:xsendall"); @@ -624,7 +624,7 @@ void FixNEB::inter_replica_comm() // reallocate memory if necessary - if (atom->nlocal > maxlocal) reallocate(); + if (atom->nmax > maxlocal) reallocate(); double **x = atom->x; double **f = atom->f;