Dan, Welcome and thanks for helping out.
Jonathan On Sep 7, 2011, at 4:36 PM, Robert Hanson wrote: > OK, Dan. You are authorized as a developer who can check code in. Welcome! > > All: Dan has offered to help write a CRYSTAL09 input tab for the application. > Others may be joining him from the Dovesi group in Turin. This will probably > require some adaptations to CRYSTAL as well, so we will want to work closely > with that group. (Not sure who exactly will be our point person for that.) > > Dan, please work with the > https://jmol.svn.sourceforge.net/svnroot/jmol/branches/crystal-input/Jmol > branch. > > I've created there a class that is the same as the Gaussian page as a > starting point for you. Have fun! Any questions should be directed to "Jmol > Developers" <jmol-developers@lists.sourceforge.net>, where others can chime > in with suggestions and comments. > > Bob > > > On Tue, Sep 6, 2011 at 2:44 PM, Daniel Jones <danieljone...@gmail.com> wrote: > Hi Bob, > > I'm set up on SourceForge, I've used my personal email, unfortunately I don't > know how much longer I'll be at NAG. Post doc contracts have an unfortunate > habit of ending. > > My sourceforge username is drdanjones. > > > Thanks and kind regards, > Dan > > Great! We have some ideas, I think, about "round tripping" the code so that > one can use the output as a basis for another input. > > First thing to do is get yourself set up as a Jmol developer. Then I will > create a branch for you to work on. You can do anything with that you want > and not worry about wrecking anything. Once you have something, or if you are > stuck, let me know, I will check out your code and see what I can do. You > will need Eclipse + SVN. The Jmol Wiki for developers can guide you. I always > have trouble with getting that going the first time, but give it a try. So: > > 1) Get a SourceForge ID name. > 2) Let me know you have done that. > 3) Download Eclipse and get SVN set up. > 4) See if you can check out the branch that I will set up called Jmol_crystal. > > > > On Mon, Sep 5, 2011 at 8:55 AM, Daniel Jones <daniel.jo...@nag.co.uk> wrote: > Hi Bob, > > I really enjoyed your talk today. Gave me a few ideas about new ways > to > use Jmol. > > You mentioned you would like someone to write a module to write > CRYSTAL > input files. I'd be interested in giving it a go. I haven't written > any Java for a while, but there is a little rattling around the back > of > my brain! > > Is there a good place to start? Can I download the source from > somewhere and just start hacking? I guess it will be similar in many > ways to the same functionality for Gaussian. > > Thanks and kind regards, > Dan > > > > ________________________________________________________________________ > The Numerical Algorithms Group Ltd is a company registered in England > and Wales with company number 1249803. The registered office is: > Wilkinson House, Jordan Hill Road, Oxford OX2 8DR, United Kingdom. > > This e-mail has been scanned for all viruses by Star. The service is > powered by MessageLabs. > > ________________________________________________________________________ > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > ________________________________________________________________________ > > This e-mail has been scanned for all viruses by Star. > ________________________________________________________________________ > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > ------------------------------------------------------------------------------ > Using storage to extend the benefits of virtualization and iSCSI > Virtualization increases hardware utilization and delivers a new level of > agility. Learn what those decisions are and how to modernize your storage > and backup environments for virtualization. > http://www.accelacomm.com/jaw/sfnl/114/51434361/ > _______________________________________________ > Jmol-developers mailing list > Jmol-developers@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-developers Dr. Jonathan H. Gutow Chemistry Department gu...@uwosh.edu UW-Oshkosh Office:920-424-1326 800 Algoma Boulevard FAX:920-424-2042 Oshkosh, WI 54901 http://www.uwosh.edu/facstaff/gutow ------------------------------------------------------------------------------ Doing More with Less: The Next Generation Virtual Desktop What are the key obstacles that have prevented many mid-market businesses from deploying virtual desktops? How do next-generation virtual desktops provide companies an easier-to-deploy, easier-to-manage and more affordable virtual desktop model.http://www.accelacomm.com/jaw/sfnl/114/51426474/ _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
