Here's a resource for some common crystals and builder code: http://vimes.svn.sourceforge.net/viewvc/vimes/trunk/Vimes/CrystalBuilder.py?revision=38&content-type=text%2Fplain
It doesn't have as many oxides that I'd like, but I like the way that it defines common lattice types like hcp, bcc, fcc, graphite, diamond, NaCl, CsCl, etc. That way if a user knows that their material is like NaCl, they can pick that as an option, put in the elements and dimensions and build. What do you think? -Geoff ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
