Cleaned up imports and renamed T to temperature
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@ -1,13 +1,10 @@
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from functools import partial
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import os.path
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import numpy as np
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from numpy.typing import ArrayLike, NDArray
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from numpy.polynomial.polynomial import Polynomial as Poly
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import math
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import scipy
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from scipy.spatial import KDTree
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import cmath
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import pandas as pd
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import multiprocessing as mp
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@ -171,7 +168,7 @@ def distance_resolved_energies(
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distance_bins: ArrayLike,
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r_bins: ArrayLike,
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box: NDArray,
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T: float,
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temperature: float,
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) -> pd.DataFrame:
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results = []
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for i in range(len(distance_bins) - 1):
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@ -182,7 +179,9 @@ def distance_resolved_energies(
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* (maxima_df["maxima"] == True)
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]
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)
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results.append(_calc_energies(maxima_indices, maxima_df, r_bins, box, T))
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results.append(
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_calc_energies(maxima_indices, maxima_df, r_bins, box, temperature)
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)
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distances = (distance_bins[:-1] + distance_bins[1:]) / 2
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radii = (r_bins[:-1] + r_bins[1:]) / 2
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