> Actually, since its appearance in master, energy always read as "0" for me, > in Mac OS X > and Linux. Thought it was a soon to be corrected scaling problem ...
It's because the code doesn't read orbital energies yet. There's now the capability using OB 2.3, but it hasn't been brought up into Avogadro yet. (Actually, it should be done through OpenQube too.) -Geoff ------------------------------------------------------------------------------ Benefiting from Server Virtualization: Beyond Initial Workload Consolidation -- Increasing the use of server virtualization is a top priority.Virtualization can reduce costs, simplify management, and improve application availability and disaster protection. Learn more about boosting the value of server virtualization. http://p.sf.net/sfu/vmware-sfdev2dev _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
