parse image flags only for valid numbers and requize imz == 0 for 2d-systems (a7d28471) · Commits · 郑智淋 / lammps

src/atom.cpp

+13 −6

Original line number	Diff line number	Diff line
		@@ -973,12 +973,19 @@ void Atom::data_atoms(int n, char *buf, tagint id_offset, tagint mol_offset,
		error->all(FLERR,"Incorrect atom format in data file");
		}

		if (imageflag)
		imagedata = ((imageint) (atoi(values[iptr]) + IMGMAX) & IMGMASK) \|
		(((imageint) (atoi(values[iptr+1]) + IMGMAX) & IMGMASK) << IMGBITS) \|
		(((imageint) (atoi(values[iptr+2]) + IMGMAX) & IMGMASK) << IMG2BITS);
		else imagedata = ((imageint) IMGMAX << IMG2BITS) \|
		((imageint) IMGMAX << IMGBITS) \| IMGMAX;
		int imx = 0;
		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);
		if ((domain->dimension == 2) && (imz != 0))
		error->one(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]);