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.
