Define a computation that calculates the Voronoi tesselation of the atoms in the simulation box. The tesselation is calculated using -all atoms in the simulatoin, but non-zero values are only stored +all atoms in the simulation, but non-zero values are only stored for atoms in the group.
Two quantites per atom are calculated by this compute. The first is -the volume of the Voronoi cell around each atom, which is the volume -of points in space closest to that atom. The second is the number of -faces of the Voronoi cell, which is also the number of nearest -neighbor atoms. +the volume of the Voronoi cell around each atom. Any point in an +atom's Voronoi cell is closer to that atom than any other. The second +is the number of faces of the Voronoi cell, which is also the number +of nearest neighbors of the atom in the middle of the cell.
The Voronoi calculation is performed by the freely available Voro++ package, written by Chris Rycroft at UC Berkeley and LBL, diff --git a/doc/compute_voronoi_atom.txt b/doc/compute_voronoi_atom.txt index cfa1258fa0..7176bd4342 100644 --- a/doc/compute_voronoi_atom.txt +++ b/doc/compute_voronoi_atom.txt @@ -23,14 +23,14 @@ compute 1 all voronoi/atom :pre Define a computation that calculates the Voronoi tesselation of the atoms in the simulation box. The tesselation is calculated using -all atoms in the simulatoin, but non-zero values are only stored +all atoms in the simulation, but non-zero values are only stored for atoms in the group. Two quantites per atom are calculated by this compute. The first is -the volume of the Voronoi cell around each atom, which is the volume -of points in space closest to that atom. The second is the number of -faces of the Voronoi cell, which is also the number of nearest -neighbor atoms. +the volume of the Voronoi cell around each atom. Any point in an +atom's Voronoi cell is closer to that atom than any other. The second +is the number of faces of the Voronoi cell, which is also the number +of nearest neighbors of the atom in the middle of the cell. The Voronoi calculation is performed by the freely available "Voro++ package"_voronoi, written by Chris Rycroft at UC Berkeley and LBL,