RHOSCOPE - A HIGHLY PORTABLE COMPUTER-PROGRAM FOR VISUALIZATION OF THE ZERO-FLUX ATOMIC SURFACES

Atomic boundaries are defined within the topological theory of atoms i n molecules as zero-flux surfaces in the gradient of electron density. The so-defined atomic surfaces often have quite complicated shapes th at reflect the local characteristics of the electron distribution. A h ighly portable computer visualization program, called RhoScope, that d isplays the zero-flux atomic surfaces is described in this article. Ex amples of atomic surfaces in the C60 cluster and the CH2Li2Cl carbenoi d, rendered with the help of RhoScope, are presented.