Hi everyone, Jmol is soooo close to doing what I need it to, but I'm struggling to find the last few details. A little help from regular Gaussian and NWChem users would be great. I'm not an expert with either quantum package.
I'm trying to get Jmol to render molecular orbitals direct from output files, rather than relying on Cube files. Can Jmol render orbitals from NWChem outputs directly? Also, what keywords are needed for Gaussian to enrich the output file? I'm guessing Pop=full is a starting point, in line with the cube tutorial on the wiki. Hope you can help, Kieron ------------------------------------------------------------------------------ Gaining the trust of online customers is vital for the success of any company that requires sensitive data to be transmitted over the Web. Learn how to best implement a security strategy that keeps consumers' information secure and instills the confidence they need to proceed with transactions. http://p.sf.net/sfu/oracle-sfdevnl _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
