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royallgroup / TCC

The Topological Cluster Classification algorithm
https://royallgroup.github.io/TCC/
GNU General Public License v3.0
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12E duplication #94

Closed merrygoat closed 5 years ago

merrygoat commented 6 years ago

In the latest unit tests the 12E is detected 3 times. This is just symmetry but it should be checked if they are topologically unique.

merrygoat commented 5 years ago

This is occurring sometimes in bulk with some topologically identical clusters being detected up to 3 times. Clusters are not always detected multiple times, my guess would be that thermal fluctuations can remove some of them.

merrygoat commented 5 years ago

This was fixed by adding a search to the already detected clusters. Not ideal but since they are not that common, the performance impact should be minimal.