bond/react: check template for topology overflow (9ae84bc3) · Commits · 郑智淋 / lammps

src/USER-MISC/fix_bond_react.cpp

+2 −0

Original line number	Diff line number	Diff line
		@@ -290,6 +290,8 @@ FixBondReact::FixBondReact(LAMMPS lmp, int narg, char *arg) :
		open(files[i]);
		onemol = atom->molecules[unreacted_mol[i]];
		twomol = atom->molecules[reacted_mol[i]];
		onemol->check_attributes(0);
		twomol->check_attributes(0);
		if (onemol->natoms != twomol->natoms)
		error->all(FLERR,"Post-reacted template must contain the same "
		"number of atoms as the pre-reacted template");