On Jun 13, 2011, at 1:17 PM, Pierre Vitorge wrote: > d etc functions of each MO: is it possible to get these percentages? typically > as a text file. Maybe it exists in CCLIB? How to be sure of what is exactly > calculated?
I'd definitely use cclib: http://sourceforge.net/apps/mediawiki/cclib/index.php?title=Calculation_methods Hope that helps, -Geoff ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2d-c2 _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
