Create util function to get selected bulk, surface, and adsorbate atoms from a slab #3

deshmukg · 2023-09-07T21:17:33Z

The function should return indices of bulk, surface, or adsorbate atoms (as required) from a given slab structure.

This was referenced Sep 15, 2023

Create util function to featurize bulk, surface, and adsorbate graphs #8

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ENH: Added util functions #9

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deshmukg closed this as completed in #9 Sep 19, 2023

Uh oh!

Create util function to get selected bulk, surface, and adsorbate atoms from a slab #3

Create util function to get selected bulk, surface, and adsorbate atoms from a slab #3

deshmukg commented Sep 7, 2023

Create util function to get selected bulk, surface, and adsorbate atoms from a slab #3

Create util function to get selected bulk, surface, and adsorbate atoms from a slab #3

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deshmukg commented Sep 7, 2023