Noel O'Blog

Here is the talk I gave at the symposium in memory of Jean-Claude Bradley . I start off with a description of an open notebook science exp...

This Autumn I will be attending an ACS Meeting in San Francisco for the second time. The first time was in 2010 when I co-organised a sympo...

On behalf of the cclib development team (namely Karol Langner and Adam Tenderholt who did all the work), I am pleased to announce the releas...

Something that's really useful is syntax checking. It can save a lot of time (not to mention frustration) if you can find errors *before...

You can find my latest results, this time for Firefly, over on my Github page . The summary is that it's slightly faster than NWChem for...

I always find screencasting quite difficult to set up on Windows. Here are some notes on a recent successful attempt that uses the well-know...

Many niggling problems with Python were fixed in Python 3, but here's one that recently bit me in the expunged. It relates to rounding i...