add check for compatible lattice command when calling create_atoms (5c5774c8) · Commits · 郑智淋 / lammps

src/create_atoms.cpp

+14 −0

Original line number	Diff line number	Diff line
		@@ -71,6 +71,20 @@ void CreateAtoms::command(int narg, char **arg)
		error->all(FLERR,"Cannot create_atoms after "
		"reading restart file with per-atom info");

		// check for compatible lattice

		int latsty = domain->lattice->style;
		if (domain->dimension == 2) {
		if (latsty == Lattice::SC \|\| latsty == Lattice::BCC
		\|\| latsty == Lattice::FCC \|\| latsty == Lattice::HCP
		\|\| latsty == Lattice::DIAMOND)
		error->all(FLERR,"Lattice style incompatible with simulation dimension");
		} else {
		if (latsty == Lattice::SQ \|\|latsty == Lattice::SQ2
		\|\| latsty == Lattice::HEX)
		error->all(FLERR,"Lattice style incompatible with simulation dimension");
		}

		// parse arguments

		if (narg < 2) error->all(FLERR,"Illegal create_atoms command");