Dear ADF users and others interested,

Scientific Computing & Modelling N.V. (SCM) is very pleased to announce
that ADF release 2004.01 is now available to all ADF users for download
from the SCM website for the first batch of platforms:
http://www.scm.com/Downloads/download2004.01/Welcome.html

We believe that this version of ADF is superior to previous ones in
many ways:

* more robust than ever, important improvements for geometry
    optimizations and grid generation.

* native Windows version that is easy to install and much more
    intuitive to use. Strong speed-up from Intel compiler for P4 and
Xeon.

* PC Linux version that should run on Redhat 7.0, 8.0, 9.0, Enterprise
    editions and "all" other Linux variants. Strong speed-up from Intel
    compiler on P4 and Xeon. The 2 GB file limit problem is solved.
    Expected to run on PIII, PIV, Xeon, Athlon, and Opteron.

* Important improvements to the Graphical User Interfaces: powerful new
modules,
    faster orbital viewing, more intuitive and user-friendly by
integration of all modules.

* A very wide range of important new functionality, including:
    Chiral optical properties, hybrid energy functionals, calculation of
S-squared,
    new xc potentials, new Hessian updates, geometry constraints, better
convergence in geometry
    optimizations, interface to NBO, parallel implementation for NMR and
analytic Hessian evaluations,
    extended spin-orbit coupling functionality, speed-ups TDDFT in BAND
and SCF in ADF,
    and more (http://www.scm.com/Doc/Doc2004.01/Updates.html)

* A number of annoying bugs have been fixed.

The first batch of platforms include:
* PC Linux with PVM or MPICH (both for RedHat 7.0 and RedHat 9.0)
* Windows
* HP Itanium2 with HP-UX (new!)
* HP RISC with HP-UX
* SGI Altix
* SGI IRIX 6.5

Other platforms will be added in the coming weeks as soon as they are
robust and ready
for general use.

In view of all these advances, we recommend all ADF users to switch to
this version and
we trust that this new version will give a boost to your ADF-related
research.

For general comments or questions regarding this release, feel free to
contact us at info_at_scm.com.
Technical question can be sent to support_at_scm.com as always.

Best regards,
Stan van Gisbergen, on behalf of the SCM team

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Dr. S.J.A. van Gisbergen  
Chief Executive Officer    
Scientific Computing & Modelling NV
Theoretical Chemistry, Vrije Universiteit
De Boelelaan 1083
1081 HV Amsterdam
The Netherlands                              
T: +31-20-4447626    
F: +31-20-4447629        
vangisbergen_at_scm.com  
http://www.scm.com
Received on 2004-05-25 12:13:43