From owner-chemistry@ccl.net Thu May  1 04:42:01 2008
From: "Tristan Youngs t.youngs-,-qub.ac.uk" <owner-chemistry-.-server.ccl.net>
To: CCL
Subject: CCL: Its..... Aten v0.97.
Message-Id: <-36876-080501043820-3731-ZuUcO0qXL7aIHwjddNYqvg-.-server.ccl.net>
X-Original-From: "Tristan  Youngs" <t.youngs**qub.ac.uk>
Date: Thu, 1 May 2008 04:38:17 -0400


Sent to CCL by: "Tristan  Youngs" [t.youngs-$-qub.ac.uk]
Morning,

With a new website comes a new version of Aten, the software that might be useful for somebody, somewhere, other than myself. Indeed, it is certainly capable of addressing a few recent queries posted to the CCL (e.g. checking initial configs, viewing vector fields / surfaces attached to a molecular structure). Version 0.97 introduces two key new features:

1) Improvements to the GUI.
2) Many less bugs throughout the code.

Not before time! Additionally:

* Windows binary version available (and Mac before the end of the week)
* Better display of volumetric data (e.g. positive / negative 'lobes' of orbital densities)
* New commands in scripting language, permitting saving of bitmaps from command line, etc.
* Did I mention less bugs throughout?

The latest version is available from http://www.projectaten.org. Again, if you happen to download it and find bugs, missing features, or just wonder if its possible to do something specific, make a list and send it on to me. If it is possible to do or immediately fixable, chances are I'll fix it in a day or so. There is also a Google Group at http://groups.google.com/group/atenusers which, while currently lacking members, has plenty of spirit!

Cheers,
Tris.


From owner-chemistry@ccl.net Thu May  1 14:14:01 2008
From: "Tristan Youngs t.youngs:+:qub.ac.uk" <owner-chemistry|-|server.ccl.net>
To: CCL
Subject: CCL: Ahem. Another email about Aten.
Message-Id: <-36877-080501140943-13925-lr/tBxSHL0tZUUqLF7Jzfw|-|server.ccl.net>
X-Original-From: "Tristan  Youngs" <t.youngs|*|qub.ac.uk>
Date: Thu, 1 May 2008 14:09:39 -0400


Sent to CCL by: "Tristan  Youngs" [t.youngs.:.qub.ac.uk]
This is the (already traditional) second email sent informing anybody who tried to download Aten earlier today and found that the link didn't work (in particular, RedHat-based Linux users) that it is now all fixed, and I apologise! Can't get the staff these days...

Now, no more Aten on CCL for the rest of the month - honest!

Cheers,
Tris.