Optimizing Python distance calculation while accounting for periodic boundary conditions

Question

I have written a Python script to calculate the distance between two points in 3D space while accounting for periodic boundary conditions. The problem is that I need to do t

Answer 1

Have a look at Ian Ozsvalds high performance python tutorial. It contains lots of suggestions on where you can go next.

Including:

• vectorization
• cython
• pypy
• numexpr
• pycuda
• multiprocesing
• parallel python