diff --git a/src/neigh_derive.cpp b/src/neigh_derive.cpp index 3e7428f609..7f10d17d03 100644 --- a/src/neigh_derive.cpp +++ b/src/neigh_derive.cpp @@ -71,7 +71,7 @@ void Neighbor::half_from_full_no_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -148,7 +148,7 @@ void Neighbor::half_from_full_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -219,7 +219,7 @@ void Neighbor::skip_from(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -314,7 +314,7 @@ void Neighbor::skip_from_granular(NeighList *list) firsttouch[i] = touchptr; firstshear[i] = shearptr; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -454,7 +454,7 @@ void Neighbor::skip_from_respa(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); firstneigh_inner[i] = neighptr_inner; diff --git a/src/neigh_full.cpp b/src/neigh_full.cpp index cdbae1d250..31c753579c 100644 --- a/src/neigh_full.cpp +++ b/src/neigh_full.cpp @@ -92,7 +92,7 @@ void Neighbor::full_nsq(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -182,7 +182,7 @@ void Neighbor::full_bin(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -280,7 +280,7 @@ void Neighbor::full_multi(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } diff --git a/src/neigh_gran.cpp b/src/neigh_gran.cpp index 9607b9d081..f5eed3b29a 100644 --- a/src/neigh_gran.cpp +++ b/src/neigh_gran.cpp @@ -156,7 +156,7 @@ void Neighbor::granular_nsq_no_newton(NeighList *list) firstshear[i] = shearptr; } npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -253,7 +253,7 @@ void Neighbor::granular_nsq_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -407,7 +407,7 @@ void Neighbor::granular_bin_no_newton(NeighList *list) firstshear[i] = shearptr; } npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -514,7 +514,7 @@ void Neighbor::granular_bin_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -605,7 +605,7 @@ void Neighbor::granular_bin_newton_tri(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } diff --git a/src/neigh_half_bin.cpp b/src/neigh_half_bin.cpp index 1de7c6a471..c4d38e6025 100644 --- a/src/neigh_half_bin.cpp +++ b/src/neigh_half_bin.cpp @@ -105,7 +105,7 @@ void Neighbor::half_bin_no_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -219,7 +219,7 @@ void Neighbor::half_bin_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -313,7 +313,7 @@ void Neighbor::half_bin_newton_tri(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } diff --git a/src/neigh_half_multi.cpp b/src/neigh_half_multi.cpp index 8b5b98bb5a..e2f1c046f5 100644 --- a/src/neigh_half_multi.cpp +++ b/src/neigh_half_multi.cpp @@ -113,7 +113,7 @@ void Neighbor::half_multi_no_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -237,7 +237,7 @@ void Neighbor::half_multi_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -339,7 +339,7 @@ void Neighbor::half_multi_newton_tri(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } diff --git a/src/neigh_half_nsq.cpp b/src/neigh_half_nsq.cpp index 9ca02e16cc..f08cce65b7 100644 --- a/src/neigh_half_nsq.cpp +++ b/src/neigh_half_nsq.cpp @@ -92,7 +92,7 @@ void Neighbor::half_nsq_no_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } @@ -190,7 +190,7 @@ void Neighbor::half_nsq_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); } diff --git a/src/neigh_respa.cpp b/src/neigh_respa.cpp index dddf28f3ec..d4d6880e86 100644 --- a/src/neigh_respa.cpp +++ b/src/neigh_respa.cpp @@ -143,7 +143,7 @@ void Neighbor::respa_nsq_no_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); ilist_inner[inum] = i; @@ -313,7 +313,7 @@ void Neighbor::respa_nsq_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); ilist_inner[inum] = i; @@ -478,7 +478,7 @@ void Neighbor::respa_bin_no_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); ilist_inner[inum] = i; @@ -675,7 +675,7 @@ void Neighbor::respa_bin_newton(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); ilist_inner[inum] = i; @@ -841,7 +841,7 @@ void Neighbor::respa_bin_newton_tri(NeighList *list) firstneigh[i] = neighptr; numneigh[i] = n; npnt += n; - if (npnt >= pgsize) + if (n > oneatom || npnt >= pgsize) error->one("Neighbor list overflow, boost neigh_modify one or page"); ilist_inner[inum] = i;