apply bugfix reported in issue #820 (b1d3b56a) · Commits · 郑智淋 / lammps

src/compute_chunk_atom.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -1809,13 +1809,13 @@ void ComputeChunkAtom::atom2binsphere()
		}
		yremap = x[i][1];
		if (periodicity[1]) {
		if (xremap < boxlo[1]) yremap += prd[1];
		if (xremap >= boxhi[1]) yremap -= prd[1];
		if (yremap < boxlo[1]) yremap += prd[1];
		if (yremap >= boxhi[1]) yremap -= prd[1];
		}
		zremap = x[i][2];
		if (periodicity[2]) {
		if (xremap < boxlo[2]) zremap += prd[2];
		if (xremap >= boxhi[2]) zremap -= prd[2];
		if (zremap < boxlo[2]) zremap += prd[2];
		if (zremap >= boxhi[2]) zremap -= prd[2];
		}

		dx = xremap - sorigin[0];