From 2e86cb4176743859deb289e3018be9df92288d43 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 30 Mar 2021 15:33:11 -0400 Subject: [PATCH] for atom style template number of bonds does not depend on newton_bond --- src/read_data.cpp | 9 +-------- 1 file changed, 1 insertion(+), 8 deletions(-) diff --git a/src/read_data.cpp b/src/read_data.cpp index 90aafd4b98..09fb8f3eae 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -793,7 +793,7 @@ void ReadData::command(int narg, char **arg) special.build(); } - // for atom style template systems, count total bonds,angles,etc + // for atom style template just count total bonds, etc. from template(s) if (atom->molecular == Atom::TEMPLATE) { Molecule **onemols = atom->avec->onemols; @@ -821,13 +821,6 @@ void ReadData::command(int narg, char **arg) MPI_Allreduce(&ndihedrals,&atom->ndihedrals,1,MPI_LMP_BIGINT,MPI_SUM,world); MPI_Allreduce(&nimpropers,&atom->nimpropers,1,MPI_LMP_BIGINT,MPI_SUM,world); - if (!force->newton_bond) { - atom->nbonds /= 2; - atom->nangles /= 3; - atom->ndihedrals /= 4; - atom->nimpropers /= 4; - } - if (me == 0) { std::string mesg;