Molecular Dynamics

Saturday, February 14th, 2009

I created a little video with the md simulation, I’m working on for my diploma thesis. It simulates condensing Argon atoms using 8 cpus and around 130 cpu hours. Parallelization was done with Space-Filling curves. I used around 500 thousand particles … try that with your standard O(n2) algorithms.
Condensing Argon
Of course I used some fanciful [...]

The fastest sparse grid code ever.

Friday, January 4th, 2008

In my strive for even faster code, I finally followed a vague idea I had: There are those template things in c++. So I began writing grid generation code and had a hard time with it. Mainly because I did not know the mighty typename keyword.
In the end I was successful:
Creating a grid with 1.5 [...]

Calling Python functions from SWIG/C++

Friday, October 5th, 2007

To make it more easy to integrate my Sparse Grid framework into existing applications (like those almighty financial applications where one function evaluation takes a whole day to calculate) and of course for easier development/testing, I searched for a way to call python callables from my swig-wrapped c++ code.
Lets first have a look in the [...]