Apply ruff

Author: ndaelman-hu

src/nomad_simulations/schema_packages/physical_property.py

@@ -1,10 +1,9 @@
 from nomad import utils
-from nomad.datamodel.metainfo.plot import PlotSection
 from nomad.datamodel.metainfo.basesections.v2 import Entity
-from nomad.metainfo import URL, MEnum, Quantity, SubSection, Reference, SectionProxy
-from nomad_simulations.schema_packages.numerical_settings import SelfConsistency
+from nomad.datamodel.metainfo.plot import PlotlyFigure, PlotSection
+from nomad.metainfo import URL, MEnum, Quantity, Reference, SectionProxy, SubSection
 
-from nomad.datamodel.metainfo.plot import PlotlyFigure
+from nomad_simulations.schema_packages.numerical_settings import SelfConsistency
 
 logger = utils.get_logger(__name__)
 

src/nomad_simulations/schema_packages/properties/band_gap.py

@@ -57,7 +57,6 @@ class ElectronicBandGap(PhysicalProperty):
         """,
     )
 
-
     def resolve_type(self, logger: 'BoundLogger') -> Optional[str]:
         """
         Resolves the `type` of the electronic band gap based on the stored `momentum_transfer` values.

src/nomad_simulations/schema_packages/properties/energies.py

@@ -1,5 +1,5 @@
 import numpy as np
-from nomad.metainfo import Quantity, SubSection, SectionProxy
+from nomad.metainfo import Quantity, SectionProxy, SubSection
 
 from nomad_simulations.schema_packages.physical_property import PhysicalProperty
 

src/nomad_simulations/schema_packages/properties/fermi_surface.py

@@ -28,6 +28,5 @@ class FermiSurface(PhysicalProperty):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)

src/nomad_simulations/schema_packages/properties/forces.py

@@ -1,5 +1,6 @@
 import numpy as np
-from nomad.metainfo import Quantity, SubSection, SectionProxy
+from nomad.metainfo import Quantity, SectionProxy, SubSection
+
 from nomad_simulations.schema_packages.physical_property import PhysicalProperty
 
 ##################

src/nomad_simulations/schema_packages/properties/greens_function.py

@@ -190,7 +190,6 @@ class ElectronicGreensFunction(BaseGreensFunction):
     )
 
 
-
 class ElectronicSelfEnergy(BaseGreensFunction):
     """
     Corrections to the energy of an electron due to its interactions with its environment.
@@ -207,7 +206,6 @@ class ElectronicSelfEnergy(BaseGreensFunction):
     )
 
 
-
 class HybridizationFunction(BaseGreensFunction):
     """
     Dynamical hopping of the electrons in a lattice in and out of the reservoir or bath.
@@ -224,7 +222,6 @@ class HybridizationFunction(BaseGreensFunction):
     )
 
 
-
 class QuasiparticleWeight(PhysicalProperty):
     """
     Renormalization of the electronic mass due to the interactions with the environment. Within the Fermi liquid
@@ -305,7 +302,6 @@ class QuasiparticleWeight(PhysicalProperty):
         """,
     )
 
-
     def resolve_system_correlation_strengths(self) -> str:
         """
         Resolves the `system_correlation_strengths` of the quasiparticle weight based on the stored `value` values.

src/nomad_simulations/schema_packages/properties/hopping_matrix.py

@@ -43,7 +43,6 @@ class HoppingMatrix(PhysicalProperty):
         """,
     )
 
-
     # TODO add normalization to extract DOS, band structure, etc, properties from `HoppingMatrix`
 
 
@@ -70,4 +69,3 @@ class CrystalFieldSplitting(PhysicalProperty):
         at the same Wigner-Seitz point (0, 0, 0).
         """,
     )
-

src/nomad_simulations/schema_packages/properties/permittivity.py

@@ -25,7 +25,7 @@ class Permittivity(PhysicalProperty):
     """
 
     iri = 'http://fairmat-nfdi.eu/taxonomy/Permittivity'
-    
+
     # Class-level constants
     rank = [3, 3]
     _axes_map = ['xx', 'yy', 'zz']
@@ -55,7 +55,6 @@ class Permittivity(PhysicalProperty):
     # ? We need use cases to understand if we need to define contributions to the permittivity tensor.
     # ? `ionic` and `electronic` contributions are common in the literature.
 
-
     def resolve_type(self) -> str:
         return 'static' if self.frequencies is None else 'dynamic'
 

src/nomad_simulations/schema_packages/properties/thermodynamics.py

@@ -135,7 +135,6 @@ class ChemicalPotential(BaseEnergy):
     iri = 'http://fairmat-nfdi.eu/taxonomy/ChemicalPotential'
 
 
-
 class HeatCapacity(PhysicalProperty):
     """
     Amount of heat to be supplied to a material to produce a unit change in its temperature.
@@ -162,7 +161,7 @@ class VirialTensor(BaseEnergy):
     The `VirialTensor` can be related to the non-ideal pressure of the system through
     the virial theorem.
     """
-    
+
     rank = [3, 3]
 
 
@@ -185,7 +184,7 @@ class Hessian(PhysicalProperty):
     A square matrix of second-order partial derivatives of a potential energy function,
     describing the local curvature of the energy surface.
     """
-    
+
     rank = [3, 3]
 
     value = Quantity(

src/nomad_simulations/schema_packages/variables.py

@@ -91,7 +91,6 @@ class Temperature(Variables):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)
 
@@ -109,7 +108,6 @@ class Energy2(Variables):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)
 
@@ -128,7 +126,6 @@ class WignerSeitz(Variables):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)
 
@@ -145,7 +142,6 @@ class Frequency(Variables):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)
 
@@ -162,7 +158,6 @@ class MatsubaraFrequency(Variables):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)
 
@@ -179,7 +174,6 @@ class Time(Variables):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)
 
@@ -196,7 +190,6 @@ class ImaginaryTime(Variables):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)
 
@@ -214,7 +207,6 @@ class KMesh(Variables):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)
 
@@ -229,6 +221,5 @@ class KLinePath(Variables):
         """,
     )
 
-
     def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
         super().normalize(archive, logger)