Removing atom2bin change since ssa neighlists aren't be used for occasional lists (67a0183b) · Commits · 郑智淋 / lammps

src/USER-DPD/nbin_ssa.cpp

+0 −3

Original line number	Diff line number	Diff line
		@@ -76,7 +76,6 @@ void NBinSSA::bin_atoms()
		int nowned = atom->nlocal; // NOTE: nlocal was set to atom->nfirst above
		for (i = nall-1; i >= nowned; i--) {
		ibin = coord2ssaAIR(x[i]);
		atom2bin[i] = ibin;
		if (ibin < 1) continue; // skip ghost atoms not in AIR
		if (mask[i] & bitmask) {
		bins[i] = gairhead_ssa[ibin];
		@@ -86,7 +85,6 @@ void NBinSSA::bin_atoms()
		} else {
		for (i = nall-1; i >= nlocal; i--) {
		ibin = coord2ssaAIR(x[i]);
		atom2bin[i] = ibin;
		if (ibin < 1) continue; // skip ghost atoms not in AIR
		bins[i] = gairhead_ssa[ibin];
		gairhead_ssa[ibin] = i;
		@@ -94,7 +92,6 @@ void NBinSSA::bin_atoms()
		}
		for (i = nlocal-1; i >= 0; i--) {
		ibin = coord2bin(x[i][0], x[i][1], x[i][2], xbin, ybin, zbin);
		atom2bin[i] = ibin;
		// Find the bounding box of the local atoms in the bins
		if (xbin < lbinxlo) lbinxlo = xbin;
		if (xbin >= lbinxhi) lbinxhi = xbin + 1;

+1 −1

Original line number	Diff line number	Diff line
		@@ -251,7 +251,7 @@ void NPairHalfBinNewtonSSA::build(NeighList *list)
		ytmp = x[i][1];
		ztmp = x[i][2];

		ibin = atom2bin[i];
		ibin = coord2bin(x[i],xbin,ybin,zbin);

		// loop over AIR ghost atoms in all bins in "full" stencil
		// Note: the non-AIR ghost atoms have already been filtered out