Re: [ESPResSo-devel] Extending espressomd and including non - bonded interactions

[Henri]

Take a look at any non-bonded interaction in interactions.pyx, e.g. 
LennardJonesInteraction.  Most
of the code is boilerplate, so it should be straight-forward how to implement 
your own.

Relevant files:
https://github.com/espressomd/espresso/blob/python/src/python/espressomd/interactions.pyx
https://github.com/espressomd/espresso/blob/python/src/python/espressomd/interactions.pxd

On Mon, 2017-11-06 at 17:32 -0500, Nishchay Suri wrote:
> To the developers,
> 
> I am a 1st year grad student at CMU and am working on membranes. I therefore 
> wanted to extend
> espressomd and start with including a few other non-bonded interactions in 
> the python version.
> 
> I have carefully read the developer's guide for bonded interactions and am 
> comfortable extending
> it. But for non-bonded interactions, it says 'Outdated'.
> 
> Please tell me what to do! I really want to implement all the features in 
> Python as I hate tcl!
> 
> Thanks!
> -Nishchay Suri
> 1st Year Grad Physics
> Carnegie Mellon University