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Refactor atoms handling #1000

Merged
merged 13 commits into from
Sep 27, 2023
Merged

Refactor atoms handling #1000

merged 13 commits into from
Sep 27, 2023

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Andrew-S-Rosen
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@Andrew-S-Rosen Andrew-S-Rosen commented Sep 27, 2023

Closes #990. Note: from quacc.utils import check_charge_and_spin still works as-expected for backwards compatibility reasons.

@Andrew-S-Rosen Andrew-S-Rosen enabled auto-merge (squash) September 27, 2023 08:19
Andrew-S-Rosen and others added 9 commits September 26, 2023 22:21
This commit fixes the style issues introduced in 3cc652b according to the output
from Black, Prettier and isort.

Details: #1000
Resolved issues in the following files with DeepSource Autofix:
1. src/quacc/recipes/emt/defects.py
2. src/quacc/recipes/emt/slabs.py
3. src/quacc/recipes/vasp/slabs.py
@Andrew-S-Rosen Andrew-S-Rosen merged commit d58646e into main Sep 27, 2023
@Andrew-S-Rosen Andrew-S-Rosen deleted the atoms_refactor branch September 27, 2023 09:02
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Move quacc.utils.atoms/slabs/defects into their own unified directory
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