actually fulfill promise given by 'ninsert == 0' warning (aa1d0f3d) · Commits · 郑智淋 / lammps

src/create_atoms.cpp

+79 −82

Original line number	Diff line number	Diff line
		@@ -202,7 +202,12 @@ void CreateAtoms::command(int narg, char **arg)
		if (iarg+3 > narg) error->all(FLERR,"Illegal create_atoms command");
		ninsert = force->inumeric(FLERR,arg[iarg+1]);
		insertseed = force->inumeric(FLERR,arg[iarg+2]);
		insertflag = 1;
		if (ninsert > 0) insertflag = 1;
		else {
		if (me == 0) error->warning(FLERR,"Specifying an 'insert' value of "
		"'0' is equivalent to no 'insert' keyword");
		insertflag = 0;
		}
		iarg += 3;
		} else error->all(FLERR,"Illegal create_atoms command");
		}
		@@ -823,12 +828,6 @@ void CreateAtoms::add_lattice()

		void CreateAtoms::lattice_mask()
		{
		if (ninsert == 0 && insertflag && me == 0) {
		error->warning(FLERR,"Specifying an 'insert' value of '0' is equivalent to no 'insert' keyword");
		ninsert = nlattpts;
		}

		if (ninsert > 0) {
		int nboxme;
		if (nprocs > 1) {
		int *allnlattpts = new int[nprocs]();
		@@ -846,7 +845,6 @@ void CreateAtoms::lattice_mask()
		cumsum_lattpts[i] = total_lattpts;
		}


		if (ninsert > total_lattpts)
		error->one(FLERR,"Attempting to insert more particles than available lattice points");

		@@ -918,7 +916,6 @@ void CreateAtoms::lattice_mask()
		}
		}
		}
		}

		/* ----------------------------------------------------------------------
		add a randomly rotated molecule with its center at center