The YAeHMOP Home Page

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.

The people responsible for bringing you YAeHMOP are ...

YAeHMOP's creator Greg Landrum

and supporting cast member

Wingfield Glassey

YAeHMOP announcements

VERY IMPORTANT
YAeHMOP is now being distributed from and maintained on sourceforge. Here are some of the changes that entails:
- The project page is now found here.
- Unfortunately, at the moment we can only provide YAeHMOP in source form. We are still figuring out how to do binary distributions now that neither Wingfield nor Greg is at Cornell.
- The YAeHMOP support address is now: yaehmop-help@lists.sourceforge.net
- You can subscribe to the help list as well as posting to it.
- If you want to be notified when new releases of YAeHMOP are made, please subscribe to the announcement list.
The current version of YAeHMOP is 3.0.1 (released March 2001).
bind version 3.0 (released April '99)
bind 3.0 is the result of the addition of several new features including:
- f orbitals
- COOP's in a fragment molecular orbital (FMO) basis
- Hamilton population analysis - a total energy partitioning tool built on the orbital, atom and FMO COOP options
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

Source downloads

YAeHMOP distributions

YAeHMOP documentation

YAeHMOP documentation

Other YAeHMOP pages ...

Sample input files: we are always looking for more sample inputs for both molecular and extended materials. If you would like to contribute (a working input file) to the list of available input files send us a copy of the file by e-mail to yaehmop-help@lists.sourceforge.net. We'll be sure to acknowledge the source of all files we use. Thanks !

We hope you enjoy using YAeHMOP ... if you have any questions about the programs or suggestions for improvements please send e-mail to yaehmop-help@lists.sourceforge.net. We look forward to hearing from you.