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chore: remove "cell" from basis in slab when used as metadata
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timurbazhirov committed Dec 28, 2024
1 parent 918393d commit 2e50dde
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion tests/py/unit/fixtures.py
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import copy
from functools import reduce
from typing import Any, Dict

from ase.build import bulk
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"build": {
"configuration": {
"type": "PassivationConfiguration",
"slab": SI_SLAB,
# TODO: `basis` retains "cell" leading to a mismatch in the test
"slab": reduce(lambda d, key: d.get(key, {}), ["basis"], SI_SLAB).pop("cell", None),
"passivant": "H",
"bond_length": 1.48,
"surface": "both",
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