bugfix for create_atoms region optimization (8338969a) · Commits · 郑智淋 / lammps

src/create_atoms.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -68,6 +68,7 @@ void CreateAtoms::command(int narg, char **arg)
		if (strcmp(arg[1],"box") == 0) {
		style = BOX;
		iarg = 2;
		nregion = -1;
		} else if (strcmp(arg[1],"region") == 0) {
		style = REGION;
		if (narg < 3) error->all(FLERR,"Illegal create_atoms command");
		@@ -727,7 +728,7 @@ void CreateAtoms::add_lattice()

		// narrow down min/max further by extent of the region, if possible

		if (domain->regions[nregion]->bboxflag) {
		if ((style == REGION) && domain->regions[nregion]->bboxflag) {
		const double rxmin = domain->regions[nregion]->extent_xlo;
		const double rxmax = domain->regions[nregion]->extent_xhi;
		const double rymin = domain->regions[nregion]->extent_ylo;