we can use error->all() and also check the coordinate conversion for valid data (dae2bce6) · Commits · 郑智淋 / lammps

src/atom.cpp

+7 −7

Original line number	Diff line number	Diff line
		@@ -977,19 +977,19 @@ void Atom::data_atoms(int n, char *buf, tagint id_offset, tagint mol_offset,
		int imy = 0;
		int imz = 0;
		if (imageflag) {
		imx = utils::inumeric(FLERR,values[iptr],true,lmp);
		imy = utils::inumeric(FLERR,values[iptr+1],true,lmp);
		imz = utils::inumeric(FLERR,values[iptr+2],true,lmp);
		imx = utils::inumeric(FLERR,values[iptr],false,lmp);
		imy = utils::inumeric(FLERR,values[iptr+1],false,lmp);
		imz = utils::inumeric(FLERR,values[iptr+2],false,lmp);
		if ((domain->dimension == 2) && (imz != 0))
		error->one(FLERR,"Z-direction image flag must be 0 for 2d-systems");
		error->all(FLERR,"Z-direction image flag must be 0 for 2d-systems");
		}
		imagedata = ((imageint) (imx + IMGMAX) & IMGMASK) \|
		(((imageint) (imy + IMGMAX) & IMGMASK) << IMGBITS) \|
		(((imageint) (imz + IMGMAX) & IMGMASK) << IMG2BITS);

		xdata[0] = atof(values[xptr]);
		xdata[1] = atof(values[xptr+1]);
		xdata[2] = atof(values[xptr+2]);
		xdata[0] = utils::numeric(FLERR,values[xptr],false,lmp);
		xdata[1] = utils::numeric(FLERR,values[xptr+1],false,lmp);
		xdata[2] = utils::numeric(FLERR,values[xptr+2],false,lmp);
		if (shiftflag) {
		xdata[0] += shift[0];
		xdata[1] += shift[1];