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more flake8
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carlocamilloni committed Dec 5, 2024
1 parent 1505871 commit f55b462
Showing 1 changed file with 1 addition and 2 deletions.
3 changes: 1 addition & 2 deletions tools/make_mat/make_mat.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,6 @@
from multiego import io

import argparse
import itertools
import multiprocessing
import numpy as np
import pandas as pd
Expand Down Expand Up @@ -531,7 +530,7 @@ def calculate_matrices(args):
main_routine(mol_i, mol_i, topology_mego, topology_ref, molecules_name, prefix)
# fmt: off
for mol_j in mol_list[mol_i - 1:]:
# fmt: on
# fmt: on
if mol_i == mol_j and not args.same:
continue
if mol_i != mol_j and not args.cross:
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