Recent site activity


For those of you that were redirected here from my old homepage in Bochum, and are looking for CPMD related information, libraries, scripts, files, and benchmarks, please note that I left the group in Bochum in October 2005 to join the group of Michael L. Klein at the University of Pennsylvania in Philadelphia as 'Associate Director' and 'Senior IT Specialist', and that I moved with him in July 2009 to the new Institute for Computational Molecular Science at Temple University as 'Research Associate Professor' and 'Associate Director'.

Since the focus of my work has changed over time and at some point i stopped working on CPMD altogether, i had less and less motivation to keep the pages in Bochum up-to-date and they were becoming horribly outdated. Finally i asked to take them down and have a redirect set up to this page, so that they don't just vanish, but you would at least get an explanation of what happened. The CPMD tutorial has long been expanded and integrated into CPMD manual directly and the VMD tutorial will resurface in an adapted form somewhere here or on the VMD homepage. I apologize if this will cause some inconvenience to you, and hope for your understanding.

You can find a pdf version of the CPMD-VMD tutorial attached to this page below. The individual files referenced in the tutorial can be downloaded from via this page:

It speaks for the longevity of content on the web, that there still have to be a large number of links to the old pages around, since this page is still one of the most visited page on my homepage.

Axel Kohlmeyer,
Aug 28, 2009, 11:23 AM