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FIX: fix return types in ThermalElectronic
1 parent a95f254 commit 02d8753

1 file changed

Lines changed: 12 additions & 9 deletions

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dfttk/thermal_electronic/thermal_electronic.py

Lines changed: 12 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -771,7 +771,7 @@ def fermi_dirac_distribution(
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ValueError: If `temperature < 0 K`.
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Returns:
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np.ndarray or (np.ndarray, go.Figure):
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np.ndarray or tuple[np.ndarray, go.Figure]:
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Fermi-Dirac distribution function values, and optionally the Plotly figure if `plot=True`.
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"""
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@@ -878,7 +878,7 @@ def calculate_internal_energies(
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resolution: float = 0.001,
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plot: bool = False,
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plot_temperature: float = None,
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) -> np.ndarray:
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) -> np.ndarray | tuple[np.ndarray, go.Figure, go.Figure]:
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"""
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Calculates the thermal electronic contribution to the internal energy for a given volume.
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@@ -897,7 +897,8 @@ def calculate_internal_energies(
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ValueError: If `plot_temperature` is not in `temperatures` when `plot=True`.
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Returns:
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np.ndarray: Internal energy values, in eV.
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np.ndarray or tuple[np.ndarray, go.Figure, go.Figure]: Internal energy values, in eV and
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optionally the Plotly figures if `plot=True`.
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"""
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# If there are negative temperatures, raise an error
@@ -994,7 +995,7 @@ def plot_internal_energy_integral(
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filtered_energies: np.ndarray,
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integrand_2: np.ndarray,
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plot_temperature: float,
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) -> go.Figure:
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) -> tuple[go.Figure, go.Figure]:
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"""
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Plots the integrands versus energy of the internal energy equation.
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@@ -1006,7 +1007,7 @@ def plot_internal_energy_integral(
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plot_temperature (float): Temperature at which the integrand is plotted, in K.
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Returns:
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go.Figure: Plotly figure object containing the integrand curves.
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tuple[go.Figure, go.Figure]: Plotly figure objects containing the integrand curves.
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"""
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plot_temperature = float(plot_temperature)
@@ -1048,7 +1049,7 @@ def calculate_entropies(
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resolution: float = 0.0001,
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plot: bool = False,
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plot_temperature: float = None,
1051-
) -> np.ndarray:
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) -> np.ndarray | tuple[np.ndarray, go.Figure]:
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"""
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Calculates the thermal electronic contribution to the entropy for a given volume.
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@@ -1067,7 +1068,8 @@ def calculate_entropies(
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ValueError: If plot_temperature is not in `temperatures` when `plot=True`.
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Returns:
1070-
np.ndarray: Entropy values as a function of temperature, in eV/K.
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np.ndarray | tuple[np.ndarray, go.Figure]: Entropy values as a function of temperature, in eV/K
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and optionally the Plotly figure if `plot=True`.
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"""
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# If there are negative temperatures, raise an error
@@ -1198,7 +1200,7 @@ def calculate_heat_capacities(
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resolution: float = 0.0001,
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plot=False,
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plot_temperature: float = None,
1201-
) -> np.ndarray:
1203+
) -> np.ndarray | tuple[np.ndarray, go.Figure]:
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"""
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Calculates the thermal electronic contribution to the heat capacity for a given volume.
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@@ -1217,7 +1219,8 @@ def calculate_heat_capacities(
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ValueError: If plot_temperature is not in `temperatures` when `plot=True`.
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Returns:
1220-
np.ndarray: Heat capacity values in eV/K.
1222+
np.ndarray | tuple[np.ndarray, go.Figure]: Heat capacity values in eV/K
1223+
and optionally the Plotly figure if `plot=True`.
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"""
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# If there are negative temperatures, raise an error

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