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fix tutorial bug (#1810)
Resolves #1755
1 parent 03d1222 commit bafec10

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docs/catalysts/examples_tutorials/adsorbml_walkthrough.md

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@@ -63,13 +63,13 @@ os.environ['HF_TOKEN'] = 'MY_TOKEN'
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from __future__ import annotations
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import pandas as pd
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from fairchem.data.oc.core import Adsorbate, Bulk, Slab
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from fairchem.data.oc.core import Bulk, Slab
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bulk_src_id = "mp-30"
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adsorbate_smiles = "*CO"
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# adsorbate smiles string from our database https://github.com/facebookresearch/fairchem/blob/main/src/fairchem/data/oc/databases/pkls/adsorbates.pkl
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adsorbate = "*CO"
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bulk = Bulk(bulk_src_id_from_db=bulk_src_id)
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adsorbate = Adsorbate(adsorbate_smiles_from_db=adsorbate_smiles)
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slabs = Slab.from_bulk_get_specific_millers(bulk=bulk, specific_millers=(1, 1, 1))
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# There may be multiple slabs with this miller index.

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