From 806a382bd096465998b9da2bcc7b430f29695d24 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Sun, 26 Jan 2014 00:11:21 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11339 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MOLECULE/atom_vec_template.cpp | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/src/MOLECULE/atom_vec_template.cpp b/src/MOLECULE/atom_vec_template.cpp index 40be41eb06..bde8b14d7c 100644 --- a/src/MOLECULE/atom_vec_template.cpp +++ b/src/MOLECULE/atom_vec_template.cpp @@ -61,6 +61,12 @@ void AtomVecTemplate::process_args(int narg, char **arg) onemols = &atom->molecules[imol]; nset = atom->molecules[imol]->nset; + // error check on molecule template fields + + for (int i = 0; i < nset; i++) { + if (onemols[i]->typeflag == 0) + error->all(FLERR,"Atom style template molecule must have atom types"); + // set bonds_allow,angles_allow,etc based on the molecules in template set // similar to how atom_style bond,angle,full set it