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lint happy
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DavideTisi committed Nov 21, 2024
1 parent 51ec791 commit 05f783e
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions examples/pi-mts-rpc/mts-rpc.py
Original file line number Diff line number Diff line change
Expand Up @@ -48,6 +48,7 @@
import matplotlib.pyplot as plt
import numpy as np


# %%
# some utility functions that will be usefull
def correlate(x, y, xbar=None, ybar=None, normalize=True):
Expand Down Expand Up @@ -618,9 +619,7 @@ def autocorrelate(x, xbar=None, normalize=True):

# loads structures, discarding unused atom properties
warnings.filterwarnings("ignore", ".*residuenumbers array.*")
pi_frames = [
ipi.read_trajectory("rpc-mts.pos_" + str(i) + ".xyz") for i in range(8)
]
pi_frames = [ipi.read_trajectory("rpc-mts.pos_" + str(i) + ".xyz") for i in range(8)]
frames = []
for idx_f in range(len(pi_frames[0])):
f = pi_frames[0][idx_f]
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