YAeHMOP

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

Contributors: Wingfield Glassey, Patrick Avery, Richard Gowers, Geoff Hutchinson, Ricardo Rodriguez, Alexey Kuzmin, Jan-Grimo Sobez

Source: Source code is available in the Github repository.

https://github.com/greglandrum/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 single-point calculations by extended Hückel method for both molecular and condensed state.

App source code: https://github.com/alanliska/YAeHMOP

IMPORTANT! Although this app is composed of open-source codes and resources, licenses for some components require the users to cite the original references when publishing the results. Please check all the licensing information under the License button and also in the following list.

All the users of the YAeHMOP app comply by downloading, installing and using it with all the licensing conditions of the individual software components and take the responsibility for keeping them.

Used third-party software: ACPDFVIEW, ANDROID SHELL, BLAS, GRAPHVIEW, LAPACK, OPENBABEL, OPSIN, X11-BASIC, YAEHMOP

The app contains all the used software licenses and descriptions.

Contact:

Compilation of the source code for Android as well as the Android app development was done by Alan Liška ([email protected]) and Veronika Růžičková ([email protected]), 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