From 1421d53b8c3a2de1fc8bd5ad77c042a598798f4d Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 9 Feb 2024 11:04:07 -0500 Subject: [PATCH] fix bug with assigning molecule IDs in parallel --- src/create_atoms.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/create_atoms.cpp b/src/create_atoms.cpp index 8e21c19c9a..03b3c7b78c 100644 --- a/src/create_atoms.cpp +++ b/src/create_atoms.cpp @@ -505,7 +505,7 @@ void CreateAtoms::command(int narg, char **arg) // molcreate = # of molecules I created - tagint molcreate = (atom->nlocal - nlocal_previous) / onemol->natoms; + tagint molcreate = (atom->nlocal - nlocal_previous) / onemol->natoms * onemol->nmolecules; // increment total bonds,angles,etc