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simplify CALC_PATH, OUT_PATH definition
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mlip_testing/analysis/surfaces/elemental_slab_oxygen_adsorption/analyse_elemental_slab_oxygen_adsorption.py

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@@ -2,29 +2,17 @@
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from __future__ import annotations
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from pathlib import Path
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from ase.io import read, write
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import pytest
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from mlip_testing.analysis.utils.decorators import build_table, plot_parity
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from mlip_testing.analysis.utils.utils import mae
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from mlip_testing.app import APP_ROOT
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from mlip_testing.calcs import CALCS_ROOT
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from mlip_testing.calcs.models.models import MODELS
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CALC_PATH = (
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Path(__file__).parent.parent.parent.parent
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/ "calcs"
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/ "surfaces"
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/ "elemental_slab_oxygen_adsorption"
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/ "outputs"
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)
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OUT_PATH = (
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Path(__file__).parent.parent.parent.parent
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/ "app"
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/ "data"
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/ "surfaces"
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/ "elemental_slab_oxygen_adsorption"
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)
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CALC_PATH = CALCS_ROOT / "surfaces" / "elemental_slab_oxygen_adsorption" / "outputs"
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OUT_PATH = APP_ROOT / "data" / "surfaces" / "elemental_slab_oxygen_adsorption"
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def compute_adsorption_energy(

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