Welcome to the YAeHMOP home page. This page has been set up to provide online support for the freely available extended Huckel calculation and visualization package YAeHMOP.
Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) was developed by Greg Landrum whilest a graduate student in the research group of Professor Roald Hoffmann at Cornell University. YAeHMOP is intended to be an easy to use, transparent, extended Huckel calculation and visualization package which can perform calculations on both molecular and extended materials in 1,2, or 3 dimensions.
and supporting cast member
bind 3.0 is the result of the addition of several new features including:
Several `bugs' have been fixed in version 3.0, notably the problems with the code for evaluating COOP's between valence orbitals in different unit cells of an extended material.
NOTE: bind 3.0 is to be considered a beta release
We hope you enjoy using YAeHMOP ... if you have any questions about the programs or suggestions for improvements please send e-mail to email@example.com. We look forward to hearing from you.