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Physical property tweaking (#201)
* Simplify `is_derived` * Remove `Variables` and old logic for enforcing shape * Add `contributions` default subsection * Move normalization up from the parent class * Extend normalization to allow for normalization only once * Add check for nesting warning with `PhysicalProperty.contributions` * Add `PhysicalProperty.type_contribution` * Extend chemical potential * Add plotting function * Add `sub_plots` * Use pre-existing sub_plot figures or produce them * Add check for out-of-bounds `target_index` in `PhysicalProperty.sub_plots` * Clean dependencies * Update ruff linting settings --------- Co-authored-by: ndaelman <ndaelman@physik.hu-berlin.de>
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src/nomad_simulations/schema_packages/outputs.py

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from typing import TYPE_CHECKING, Optional
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import numpy as np
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from nomad.datamodel.data import ArchiveSection
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from nomad.metainfo import Quantity, SubSection
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if TYPE_CHECKING:
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ElectronicEigenvalues,
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ElectronicGreensFunction,
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ElectronicSelfEnergy,
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FermiLevel,
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FermiSurface,
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HoppingMatrix,
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HybridizationFunction,
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""",
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)
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fermi_levels = SubSection(sub_section=FermiLevel.m_def, repeats=True)
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chemical_potentials = SubSection(sub_section=ChemicalPotential.m_def, repeats=True)
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crystal_field_splittings = SubSection(

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