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Removing atom2bin change since ssa neighlists aren't be used for occasional lists

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Stan Moore
2017-06-19 15:23:33 -06:00
parent b96b6b9cd7
commit 67a0183b33
2 changed files with 1 additions and 4 deletions
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3
src/USER-DPD/nbin_ssa.cpp
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@ -76,7 +76,6 @@ void NBinSSA::bin_atoms()
int nowned = atom->nlocal; // NOTE: nlocal was set to atom->nfirst above int nowned = atom->nlocal; // NOTE: nlocal was set to atom->nfirst above
for (i = nall-1; i >= nowned; i--) { for (i = nall-1; i >= nowned; i--) {
ibin = coord2ssaAIR(x[i]); ibin = coord2ssaAIR(x[i]);
atom2bin[i] = ibin;
if (ibin < 1) continue; // skip ghost atoms not in AIR if (ibin < 1) continue; // skip ghost atoms not in AIR
if (mask[i] & bitmask) { if (mask[i] & bitmask) {
bins[i] = gairhead_ssa[ibin]; bins[i] = gairhead_ssa[ibin];
@ -86,7 +85,6 @@ void NBinSSA::bin_atoms()
} else { } else {
for (i = nall-1; i >= nlocal; i--) { for (i = nall-1; i >= nlocal; i--) {
ibin = coord2ssaAIR(x[i]); ibin = coord2ssaAIR(x[i]);
atom2bin[i] = ibin;
if (ibin < 1) continue; // skip ghost atoms not in AIR if (ibin < 1) continue; // skip ghost atoms not in AIR
bins[i] = gairhead_ssa[ibin]; bins[i] = gairhead_ssa[ibin];
gairhead_ssa[ibin] = i; gairhead_ssa[ibin] = i;
@ -94,7 +92,6 @@ void NBinSSA::bin_atoms()
} }
for (i = nlocal-1; i >= 0; i--) { for (i = nlocal-1; i >= 0; i--) {
ibin = coord2bin(x[i][0], x[i][1], x[i][2], xbin, ybin, zbin); 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 // Find the bounding box of the local atoms in the bins
if (xbin < lbinxlo) lbinxlo = xbin; if (xbin < lbinxlo) lbinxlo = xbin;
if (xbin >= lbinxhi) lbinxhi = xbin + 1; if (xbin >= lbinxhi) lbinxhi = xbin + 1;

2
src/USER-DPD/npair_half_bin_newton_ssa.cpp
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@ -251,7 +251,7 @@ void NPairHalfBinNewtonSSA::build(NeighList *list)
ytmp = x[i][1]; ytmp = x[i][1];
ztmp = x[i][2]; 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 // loop over AIR ghost atoms in all bins in "full" stencil
// Note: the non-AIR ghost atoms have already been filtered out // Note: the non-AIR ghost atoms have already been filtered out