Nice work! Regarding the pretty Julia version of Lennard-Jones MD.
You can shape of another second (on my machine) by not passing in the lj method as a parameter, but directly calling it. I tried to write an optimize version of your lj_pretty function by analysing it with @profile and rewriting the slow parts. You can see my results here: https://gist.github.com/vchuravy/f42f458717a7a49395a5 I went step for step through it and applied one optimization at a time. You can also see the time computation time spend at each line as a comment. Mostly I just removed temporary array allocation and then applied your math optimization. One question though. In lj_cstyle(x) you calculate dJ = -12.*(t*t - t) * s , shouldn't it be dJ = -12.*(t*t - t) / s? Kind regards, Valentin On Sunday, 30 November 2014 12:51:31 UTC+1, Christoph Ortner wrote: > > Belated update to this thread: > > I have now finished a first draft of three tutorial-like numerical PDE > notebooks; they can be viewed at > http://homepages.warwick.ac.uk/staff/C.Ortner/index.php?page=julia > I have two more coming up in the near future, one on spectral methods, the > other on an optimisation problem. For the moment, I am using them primarily > for my research group to learn Julia, and to show it to colleagues when > they are interested. > > Q1: May I use the Julia logo on that website, as well as for any tutorials > / courses that I teach based on Julia? > > Q2: Eventually I think it would be good to have a "Julia Examples" page > such as > http://www.mathworks.com/examples/ > > Q3: I'd of course be interested in feedback. > > > > > > >
