GCN.py

[lucahowles]

This is code to calculate the coordination number, then generalised coordination number of a structure. The slab size needs to be at least (5, 5, 5) to work for fcc110 so if anyone might know how to make that work with smaller slabs that would be great. Also, the code doesn't work with higher indices (so another point for improvement).

[codecov]

Codecov Report

Attention: Patch coverage is 0% with 37 lines in your changes are missing coverage. Please review.

Project coverage is 85.13%. Comparing base (4174d1e) to head (3536a3b).

❗ Current head 3536a3b differs from pull request most recent head 9c48292. Consider uploading reports for the commit 9c48292 to get more accurate results

Files	Patch %	Lines
carmm/analyse/GCN.py	0.00%	37 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #125      +/-   ##
==========================================
- Coverage   88.23%   85.13%   -3.11%     
==========================================
  Files          80       71       -9     
  Lines        3265     2791     -474     
==========================================
- Hits         2881     2376     -505     
- Misses        384      415      +31     

Flag	Coverage Δ
unittests	85.13% <0.00%> (-3.11%)	⬇️

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[logsdail]

@GaryLZW What was the status of this? Can I ask for your review and merge actions? As I was hoping to pick this up with my future student?