From 28925f69f59f3c0794d5444a6bcfd616c28df2a3 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 28 Aug 2022 11:38:01 -0400 Subject: [PATCH] re-initialize neighbor lists at end to clear out the occasional list entry --- src/create_bonds.cpp | 1 + src/delete_atoms.cpp | 1 + 2 files changed, 2 insertions(+) diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp index d316644e15..275463f4de 100644 --- a/src/create_bonds.cpp +++ b/src/create_bonds.cpp @@ -298,6 +298,7 @@ void CreateBonds::many() } } } + neighbor->init(); // recount bonds diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp index c52e3a0441..9c50839c4a 100644 --- a/src/delete_atoms.cpp +++ b/src/delete_atoms.cpp @@ -420,6 +420,7 @@ void DeleteAtoms::delete_overlap(int narg, char **arg) break; } } + neighbor->init(); } /* ----------------------------------------------------------------------