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For the past weeks I have been trying to reproduce Agarwala's results but I've been unsuccessful. From this paper I am trying to reproduce the first and last columns of Fig.2, by implementing eq.2; The image below is the crystalline case from the paper:

The code is made of two parts mostly: the building of the system and the method that checks which sites are connected to which. The latter method I have checked, tested and improved it and it appears to be 100% functional. The building of the system, although appears to be correct, is likely the part where the issue arises.

I have tried several things and changed the code a whole lot but the results are always incompatible with the reference. My output is:

enter image description here

The results are clearly different but I cannot find any issues in the code and bear in mind that since it is a crystalline structure the result are supposed to be, at least, very similar to one another. Here's my github with the code I implemented and two images: one for the crystal case and another for the random case.

Thanks in advance

PS: I was going to post this on physics exchange but apparently since it is about writing a code I am supposed to ask here.

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  • $\begingroup$ Your question seems to be about reviewing your code, that is off-topic in this site. On the other hand, how does your result look on top of the original figure? $\endgroup$ – nicoguaro Jun 16 at 17:16

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