Category talk:Development
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[edit] Wiki Stuff
I should be able to help out with "Organizing the wiki for developers" and the gathering together of tutorials and resources. The latter I have already made a start on when this was set up. As for the first, need an idea what you actually mean by this, then can get it going. --Dr DBW 01:28, 28 June 2007 (CEST)
I'm aware that you have done a great job already. Question is whether we should try to copy over complete tutorials (depending on permission from the authors of course). It would also be great to see which kind of tutorials are missing and encourage people to write those. For instance I intended to write one on Conserving Energy but didn't get around to it yet. --Spoel 08:59, 28 June 2007 (CEST)
- David, what do you have in mind in terms of "organising for the developers"? Do you mean setting up pages and section for developing of the code? Or something else? --Dr DBW 01:30, 29 June 2007 (CEST)
Setting up pages for each of the topics mentioned on the main Development page, where topic specific discussions can be had (or something along those lines). For instance since Mark now volunteered to look into fast multipole algorithms, a special page could be made. Maybe it is sufficient to put some keywords with double square brackets.--Spoel 16:30, 29 June 2007 (CEST)
- That is the great thing about a wiki, anyone can do that sort of stuff, it is pretty simple. Plus, if someone at least puts something up, then others that know more about various standards etc for the site, can do a quick couple of edits to get it into the correct form for consistency and so forth. --Dr DBW 09:20, 3 July 2007 (CEST)
[edit] Parallel Fast Multipole solver
I have an interest in doing this. What algorithm is being considered? --Mabraham 05:43, 28 June 2007 (CEST)
That is to be decided. AFAIK there are a few of these out there available under different licenses. The first step would be to look into what really is out there, and that should be documented on the wiki. Ideally I would like to have an algorithm that can do both Coulomb and Lennard Jones (and Gravity...). --Spoel 08:48, 28 June 2007 (CEST)
Let's continue discussion on this page Fast-multipole. --Spoel 13:50, 30 June 2007 (CEST)
[edit] QMMM interface for GAMESS-US
I'm trying to write this interfece for qmmm calculations. I't near to be ready for use. Alexxy
[edit] QM/MM interface between Gromacs and Gamess-US
I am wondering if there will be a QM/MM interface between Gromacs and Gamess-US in the upcoming Gromacs_4 ? I know Gromacs_3 provides an interface for Gamess-UK, which unfortunately is not free for users outside UK. Thanks.
