GCN.py #125
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GCN.py #125
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #125 +/- ##
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- Coverage 88.35% 87.38% -0.98%
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Files 82 83 +1
Lines 3316 3353 +37
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Hits 2930 2930
- Misses 386 423 +37
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@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? |
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@GaryLZW Any news on this pal? |
Hi Andy. Sorry, I forgot about this for some time. I am not sure if I can make changes to Luca's code. I will probably open another branch and get this code into some usable form. |
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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).