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janus_core/helpers/post_process.py

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"""Module for post-processing trajectories."""
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from collections.abc import Sequence
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from itertools import combinations_with_replacement
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from typing import Optional, Union
@@ -278,7 +278,7 @@ def compute_vaf(
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if fft:
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vafs = np.fft.fft(vafs, axis=0)
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lags = 1. / lags
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lags = np.fft.fftfreq(nsteps, time_step)
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vafs = (
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lags,

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