> Maybe I'll try to develop a UV-Vis spectra generator from Dalton output for > my undegraduate thesis. > Do you think it could be an useful plugin to implement?
That would be great. One part would be cleaning up the input syntax (should be easy). The second part would be to help improve the Dalton output parser to read the UV-Vis (i.e., excitation energies, oscillator strengths, etc.) for Open Babel. Hope that helps, -Geoff ------------------------------------------------------------------------------ Own the Future-Intel® Level Up Game Demo Contest 2013 Rise to greatness in Intel's independent game demo contest. Compete for recognition, cash, and the chance to get your game on Steam. $5K grand prize plus 10 genre and skill prizes. Submit your demo by 6/6/13. http://p.sf.net/sfu/intel_levelupd2d _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
