README

A collection of scripts for use with QM codes
=============================================

Note: these have not been maintained (or, probably, used) in several years and may no longer work with current software releases.

Folders:

* ADF/ contains scripts for use with the ADF (probably 2010.02) program, from http://scm.com/
* AIMAll/ contains scripts for use with the AIMAll QTAIM program, from http://aim.tkgristmill.com/
* DGrid/ contains scripts for use with DGrid 4.5, by Miroslav Kohout: http://www.cpfs.mpg.de/~kohout/dgrid.html
* Gaussian/ contains scripts for use with the Gaussian program, probably version g09_a02, from http://www.gaussian.com/
* Turbomole/ contains scripts for use with Turbomole 6, from http://cosmologic.de/
* Multi/ contains scripts for use with more than one of the above.

* TestFiles/ contains examples of files which should work with these scripts.

Everything in this repository is released under the BSD 2-Clause license; not because I think it's masterful work, but so people can take it and do essentially what they want with it. The license is contained in LICENSE.