Bug fix version ADF2005.01b released

The bug fix release ADF2005.01b is now available for download from the SCM web site.

Based on feedback from our users, we have fixed a number of problems, and added some minor new features. Also, some additional platforms are now supported.

Fixes are related to:

segmentation faults on linux
problems with environment variables when running in parallel with MPI
visualization of excitation spectra (ADFspectra module)
interaction diagrams working when core orbitals present (ADFlevels)
import of coordinates in ADFinput

Minor improvements include:

BP86 shortcut, mPBE added to ADF
optimization with delocalized coordinates added to ADFinput
integration grid smoothing added to ADFinput
list of Hessian update schemes in ADFinput updated
SD (analytical second derivatives) added to ADFinput

The list of supported platforms has now been extended to:

PC Linux (RedHat 9 or later)
PC Linux 64 (Nocona and Opteron)
PC Linux (RedHat 7)
PC Windows 98, 2000, XP
IBM AIX(Power4 & Power3)
HP Itanium2 HPUX
SGI Itanium2 Linux (Altix)
SGI Irix64 6.5
Macintosh OS X

Check the full list of changes, for further details. As usual, any problems with this new release can be reported to support@scm.com.

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