diff --git a/src/dump.cpp b/src/dump.cpp index 3198429519..511abdaa87 100644 --- a/src/dump.cpp +++ b/src/dump.cpp @@ -276,7 +276,7 @@ void Dump::init() // preallocation for PBC copies if requested - if (pbcflag && atom->nlocal > maxpbc) pbc_allocate(); + if (pbcflag && atom->nmax > maxpbc) pbc_allocate(); } /* ---------------------------------------------------------------------- */ @@ -374,7 +374,7 @@ void Dump::write() if (pbcflag) { int nlocal = atom->nlocal; - if (nlocal > maxpbc) pbc_allocate(); + if (atom->nmax > maxpbc) pbc_allocate(); if (nlocal) { memcpy(&xpbc[0][0],&atom->x[0][0],3*nlocal*sizeof(double)); memcpy(&vpbc[0][0],&atom->v[0][0],3*nlocal*sizeof(double));