Loading src/neighbor.cpp +10 −19 Original line number Diff line number Diff line Loading @@ -1139,7 +1139,7 @@ void Neighbor::build_one(int i) setup neighbor binning parameters bin numbering in each dimension is global: 0 = 0.0 to binsize, 1 = binsize to 2*binsize, etc nbin-1,nbin,etc = bbox-binsize to bbox, bbox to bbox+binsize, etc nbin-1,nbin,etc = bbox-binsize to binsize, bbox to bbox+binsize, etc -1,-2,etc = -binsize to 0.0, -2*size to -size, etc code will work for any binsize since next(xyz) and stencil extend as far as necessary Loading Loading @@ -1538,32 +1538,23 @@ int Neighbor::coord2bin(double *x) if (x[0] >= bboxhi[0]) ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx) + nbinx - mbinxlo; else if (x[0] >= bboxlo[0]) { ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx); if (ix == nbinx) ix = nbinx-1; else if (ix == -1) ix = 0; ix -= mbinxlo; } else else if (x[0] >= bboxlo[0]) ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx) - mbinxlo; else ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx) - mbinxlo - 1; if (x[1] >= bboxhi[1]) iy = static_cast<int> ((x[1]-bboxhi[1])*bininvy) + nbiny - mbinylo; else if (x[1] >= bboxlo[1]) { iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy); if (iy == nbiny) iy = nbiny-1; else if (iy == -1) iy = 0; iy -= mbinylo; } else else if (x[1] >= bboxlo[1]) iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy) - mbinylo; else iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy) - mbinylo - 1; if (x[2] >= bboxhi[2]) iz = static_cast<int> ((x[2]-bboxhi[2])*bininvz) + nbinz - mbinzlo; else if (x[2] >= bboxlo[2]) { iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz); if (iz == nbinz) iz = nbinz-1; else if (iz == -1) iz = 0; iz -= mbinzlo; } else else if (x[2] >= bboxlo[2]) iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz) - mbinzlo; else iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz) - mbinzlo - 1; return (iz*mbiny*mbinx + iy*mbinx + ix); Loading Loading
src/neighbor.cpp +10 −19 Original line number Diff line number Diff line Loading @@ -1139,7 +1139,7 @@ void Neighbor::build_one(int i) setup neighbor binning parameters bin numbering in each dimension is global: 0 = 0.0 to binsize, 1 = binsize to 2*binsize, etc nbin-1,nbin,etc = bbox-binsize to bbox, bbox to bbox+binsize, etc nbin-1,nbin,etc = bbox-binsize to binsize, bbox to bbox+binsize, etc -1,-2,etc = -binsize to 0.0, -2*size to -size, etc code will work for any binsize since next(xyz) and stencil extend as far as necessary Loading Loading @@ -1538,32 +1538,23 @@ int Neighbor::coord2bin(double *x) if (x[0] >= bboxhi[0]) ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx) + nbinx - mbinxlo; else if (x[0] >= bboxlo[0]) { ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx); if (ix == nbinx) ix = nbinx-1; else if (ix == -1) ix = 0; ix -= mbinxlo; } else else if (x[0] >= bboxlo[0]) ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx) - mbinxlo; else ix = static_cast<int> ((x[0]-bboxlo[0])*bininvx) - mbinxlo - 1; if (x[1] >= bboxhi[1]) iy = static_cast<int> ((x[1]-bboxhi[1])*bininvy) + nbiny - mbinylo; else if (x[1] >= bboxlo[1]) { iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy); if (iy == nbiny) iy = nbiny-1; else if (iy == -1) iy = 0; iy -= mbinylo; } else else if (x[1] >= bboxlo[1]) iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy) - mbinylo; else iy = static_cast<int> ((x[1]-bboxlo[1])*bininvy) - mbinylo - 1; if (x[2] >= bboxhi[2]) iz = static_cast<int> ((x[2]-bboxhi[2])*bininvz) + nbinz - mbinzlo; else if (x[2] >= bboxlo[2]) { iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz); if (iz == nbinz) iz = nbinz-1; else if (iz == -1) iz = 0; iz -= mbinzlo; } else else if (x[2] >= bboxlo[2]) iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz) - mbinzlo; else iz = static_cast<int> ((x[2]-bboxlo[2])*bininvz) - mbinzlo - 1; return (iz*mbiny*mbinx + iy*mbinx + ix); Loading
