From 02498925c57e86bbabdfc861fdf442babe10e03e Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 29 Jun 2023 22:07:04 -0400 Subject: [PATCH] only fail on too small periodic domain in z direction if 3d system. --- src/create_bonds.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp index 2960eda766..13a99a182f 100644 --- a/src/create_bonds.cpp +++ b/src/create_bonds.cpp @@ -198,7 +198,8 @@ void CreateBonds::many() error->warning(FLERR, "Create_bonds max distance > minimum neighbor cutoff"); if ((domain->xperiodic && (rmax > domain->xprd)) || - (domain->yperiodic && (rmax > domain->yprd)) || (domain->zperiodic && (rmax > domain->zprd))) + (domain->yperiodic && (rmax > domain->yprd)) || + ((domain->dimension == 3) && domain->zperiodic && (rmax > domain->zprd))) error->all(FLERR, "Bond creation cutoff is larger than periodic domain"); // require special_bonds 1-2 weights = 0.0 and KSpace = nullptr