diff --git a/src/VORONOI/compute_voronoi_atom.cpp b/src/VORONOI/compute_voronoi_atom.cpp index d551fbee685b7924edbce4d1b3246731df10dcc0..9c122ced16826ccf675c83db54466f5b134d30cc 100644 --- a/src/VORONOI/compute_voronoi_atom.cpp +++ b/src/VORONOI/compute_voronoi_atom.cpp @@ -294,6 +294,7 @@ void ComputeVoronoi::processCell(voronoicell_neighbor &c, int i) // count only faces above area threshold c.face_areas(narea); have_narea = true; + voro[i][1] = 0.0; for (j=0; j<narea.size(); ++j) if (narea[j] > fthresh) voro[i][1] += 1.0; } else { @@ -306,6 +307,7 @@ void ComputeVoronoi::processCell(voronoicell_neighbor &c, int i) voro[i][2] = c.surface_area(); } else if (surface == VOROSURF_GROUP) { if (!have_narea) c.face_areas(narea); + voro[i][2] = 0.0; // loop over all faces (neighbors) and check if they are in the surface group for (j=0; j<voro[i][1]; ++j) if (mask[neigh[j]] & sgroupbit) voro[i][2] += narea[j];