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Generalized coordination#1

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kareem-Abdelmaqsoud wants to merge 6 commits intoulissigroup:mainulissigroup/catapalt:mainfrom kareem-Abdelmaqsoud:generalized_coordinationkareem-Abdelmaqsoud/catapalt:generalized_coordinationCopy head branch name to clipboard

+51-7

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Commits on Mar 9, 2023

• added get_surface_gcn_info method

  kareem-Abdelmaqsoud

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Commits on Mar 10, 2023

• created this testing notebook to check the results for the CN and GCN functions. So far it's incorrect

  kareem-Abdelmaqsoud

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• modified the CN and GCN functions to include the subsurface atoms in the calcualtions

  kareem-Abdelmaqsoud

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• deleted the testing notebook

  kareem-Abdelmaqsoud

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Commits on Mar 14, 2023

• adding back in the surface neighbor counter, making gcn extensible

  brookwander

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Commits on Mar 30, 2023

• just a small modification to get the maximum on the first axis of the cn_matrix instead of the maximum of the matrix in general.

  kareem-Abdelmaqsoud

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