YAeHMOP

Modern computational program for extended Hueckel method.

Authors of the code: Greg Landrum (author), Wingfield Glassey (contributor)

Homepage: The project homepage contains the sources, binaries, manuals and lots of other usefull stuff. The project is located at sourceforge as well.

http://yaehmop.sourceforge.net/ https://sourceforge.net/projects/yaehmop/

Source: Source code is available in the project homepage and at sourceforge.

http://yaehmop.sourceforge.net/ https://sourceforge.net/projects/yaehmop/

Reference: Landrum, G. A., and W. V. Glassey. "YAeHMOP (Yet Another Extended Hückel Molecular Orbital Package)." Cornell University, Ithaca, NY (1995).

Description & Use:

YAeHMOP is used for extended Hückel method for both molecular and condensed state. It consists of two main (and few other additional) codes: bind (the core executable) and viewkel (visualization program, not actualy compiled for Android).

Quick start: check the included manuals

Program status:

The current package contains YAeHMOP binaries of version 3.0 compiled for the particular Android hardware platforms and adapted for running in generic, stock devices. The app requires permission to access the file-storage. It works completely offline and does not contain ads.

License:

The distribution is published for free at Mobile Chemistry Portal and Google Play Store with kind permission of Greg Landrum.

For more details on licenses of used software, please check the included README file and the corresponding license files inside of the package.

Contact:

Compilation of the source code for Android/Windows as well as the Android/Windows app development was done by Alan Liška (alan.liska@jh-inst.cas.cz) and Veronika Růžičková (sucha.ver@gmail.com), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic.

Website: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm