D for project in computational chemistry

[jmh530 via Digitalmars-d]

On Sunday, 16 August 2015 at 13:11:12 UTC, Yura wrote:
>
>
> Python:
>
> #!/usr/bin/python
> import sys, string, os, glob, random
> from math import *
>
> a = 0
>
> l = 1000
>
> for i in range(l):
>         for j in range(l):
>                 for m in range(l):
>                         a = a +i*i*0.7+j*j*0.8+m*m*0.9
>
> print a
>

While starting over with D might make a better framework for 
going forward, it might be less work than you think to speed-up 
your existing Python code base. Loops in Python are notoriously 
slow. The code you're using seems like a classic example of 
something that could be sped up. You could write the slow parts 
in C with Cython. Alternately, you could play with Numba's @jit.