Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

Alex Granovsky
gran@classic.chem.msu.su

Firefly version 8.1.1 is available for download from the download page.

This version of Firefly is primary a bugfix release to version 8.1.0. The list of changes is as follows:

1. Multiple minor bugfixes.
2. Changes to increase overall precision of very large QDPT jobs by dramatically reducing accumulated round-off errors.
3. Implementation of DFT-NL.
4. Changes for better multi-core performance.
5. Preliminary changes for AVX512.

Kind regards,
Alex Granovsky

[ This message was edited on Thu Sep 3 '15 at 9:22pm by the author ]