Cleaned up imports and renamed T to temperature

This commit is contained in:
Sebastian Kloth 2024-01-16 13:36:56 +01:00
parent cf865930a5
commit 5d16c7de5e

View File

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