Magic Numbers

[shivupa]

Can these please be replaced with named constants? Preferably with the formula/units in a comment? I think this code has educational utility beyond what is intended. The project is structured well and the code is written well so it is readable. I could imagine more advanced students reading the source and learning something.
E.g.

// four_ep_sigma (UNITS) = 4 * \epsilon * \sigma**6 
four_ep_sigma = 9.273e-78

Instances that I saw:

• MC.py
• sample.py
• sample.py
• util.py
• comp.cpp lines 38 - 45
• comp.cpp
• comp.cpp
• comp.cpp

[arm61]

I think that I have managed to get all of the examples of "magic numbers" out of the code. I would be grateful if you would check #15 just to confirm?

[shivupa]

I believe that covers it. Thanks!