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patch phonon test (quantites typo)
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-4
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3 files changed

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.pre-commit-config.yaml

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@@ -1,4 +1,4 @@
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default_stages: [commit]
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default_stages: [pre-commit]
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default_install_hook_types: [pre-commit, commit-msg]
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emmet-core/emmet/core/phonon.py

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@@ -129,8 +129,10 @@ class PhononBS(BaseModel):
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False,
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description="Whether the calculation includes non-analytical corrections at Gamma.",
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)
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eigendisplacements: list[list[list[tuple[complex, complex, complex]]]] | None = (
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Field(None, description="Phonon eigendisplacements in Cartesian coordinates.")
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eigendisplacements: list[
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list[list[tuple[complex, complex, complex]]]
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] | None = Field(
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None, description="Phonon eigendisplacements in Cartesian coordinates."
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)
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labels_dict: dict[str, Vector3D] | None = Field(
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None, description="The high-symmetry labels of specific q-points."

emmet-core/tests/test_phonon.py

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@@ -79,7 +79,7 @@ def test_legacy_migration(legacy_ph_task):
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-93889.03563367906,
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],
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}
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tprops = ph_doc.compute_thermo_quantites(temps)
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tprops = ph_doc.compute_thermo_quantities(temps)
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assert all(
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t == pytest.approx(tprops["temperature"][i]) for i, t in enumerate(temps)
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)

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