USER-DPD Kokkos: bugfix for npair_ssa_kokkos.cpp corresponding to 0cd3f0cd (fff43a46) · Commits · 郑智淋 / lammps

src/KOKKOS/npair_ssa_kokkos.cpp

+5 −5

Original line number	Diff line number	Diff line
		@@ -515,11 +515,11 @@ void NPairSSAKokkosExecute<DeviceType>::build_ghosts()
		if(rsq <= cutneighsq(itype,jtype)) {
		if (molecular) {
		if (!moltemplate)
		which = find_special(i,j);
		/* else if (imol >= 0) */
		/* which = find_special(onemols[imol]->special[iatom], */
		/* onemols[imol]->nspecial[iatom], */
		/* tag[j]-tagprev); */
		which = find_special(j,i);
		/* else if (jmol >= 0) */
		/* which = find_special(onemols[jmol]->special[jatom], */
		/* onemols[jmol]->nspecial[jatom], */
		/* tag[i]-jtagprev); */
		/* else which = 0; */
		if (which == 0){
		if(n<neigh_list.maxneighs) neighbors_i(n++) = j;