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.