diff --git a/src/USER-REAXC/pair_reaxc.cpp b/src/USER-REAXC/pair_reaxc.cpp index 8acbdbb1bfc960a4919e1be580cb8218325d46b5..626e9656675573a2b8ed3c0b33f49fef841e74e2 100644 --- a/src/USER-REAXC/pair_reaxc.cpp +++ b/src/USER-REAXC/pair_reaxc.cpp @@ -388,7 +388,10 @@ void PairReaxC::init_style( ) neighbor->requests[irequest]->ghost = 1; cutmax = MAX3(control->nonb_cut, control->hbond_cut, control->bond_cut); - + if ((cutmax < 2.0*control->bond_cut) && (comm->me == 0)) + error->warning(FLERR,"Total cutoff < 2*bond cutoff. May need to use an " + "increased neighbor list skin."); + for( int i = 0; i < LIST_N; ++i ) lists[i].allocated = 0;