From: <bao...@us...> - 2006-04-10 10:47:45
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Revision: 60 Author: baoilleach Date: 2006-04-10 03:47:34 -0700 (Mon, 10 Apr 2006) ViewCVS: http://svn.sourceforge.net/cclib/?rev=60&view=rev Log Message: ----------- Added processor type to metadata Modified Paths: -------------- trunk/data/GAMESS/basicPCGAMESS/metadata.txt trunk/data/Gaussian/basicGaussian03/metadata.txt Modified: trunk/data/GAMESS/basicPCGAMESS/metadata.txt =================================================================== --- trunk/data/GAMESS/basicPCGAMESS/metadata.txt 2006-04-07 13:21:34 UTC (rev 59) +++ trunk/data/GAMESS/basicPCGAMESS/metadata.txt 2006-04-10 10:47:34 UTC (rev 60) @@ -1,5 +1,5 @@ PC-GAMESS v.6.2 build 2068 Windows XP -Pentium ?? +Intel Celeron Original input file created using GaussView with C2h symmetry and saved as Cartesian coordinates. After GeoOpt of this, the final coordinates were used as the input for a single point energy calculations (unrestricted, no sym) and an IR calculation. For the Raman calculation, the $GRAD and $HESS sections were cut from the PUNCH file of the IR calc and pasted into the Raman calc input file. Modified: trunk/data/Gaussian/basicGaussian03/metadata.txt =================================================================== --- trunk/data/Gaussian/basicGaussian03/metadata.txt 2006-04-07 13:21:34 UTC (rev 59) +++ trunk/data/Gaussian/basicGaussian03/metadata.txt 2006-04-10 10:47:34 UTC (rev 60) @@ -1,4 +1,4 @@ Gaussian 03, Revision B.04 Windows XP -Pentium ?? +Intel Celeron Original Z-matrix created using GaussView (as far as I remember). This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |