print warning when "compress yes" is ignored with delete_atoms (69653072) · Commits · 郑智淋 / lammps

src/delete_atoms.cpp

+8 −5

Original line number	Diff line number	Diff line
		@@ -109,11 +109,14 @@ void DeleteAtoms::command(int narg, char **arg)
		// reset atom tags to be contiguous
		// set all atom IDs to 0, call tag_extend()

		if (atom->molecular == 0 && compress_flag) {
		if (compress_flag) {
		if (atom->molecular == 0) {
		tagint *tag = atom->tag;
		int nlocal = atom->nlocal;
		for (int i = 0; i < nlocal; i++) tag[i] = 0;
		atom->tag_extend();
		} else if (comm->me == 0)
		error->warning(FLERR,"Ignoring 'compress yes' for molecular system");
		}

		// reset atom->natoms and also topology counts