From: <bao...@us...> - 2006-08-04 12:57:53
|
Revision: 286 Author: baoilleach Date: 2006-08-04 05:57:44 -0700 (Fri, 04 Aug 2006) ViewCVS: http://svn.sourceforge.net/cclib/?rev=286&view=rev Log Message: ----------- Data: Adding GAMESS-UK SP calcs (res and unres) which used the FORMAT HIGH directive. This ensures that all of the virtual orbitals are printed, and now just the lowest 5. Added Paths: ----------- trunk/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.in trunk/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.out trunk/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.in trunk/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.out This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |