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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Mar 25, 2024
1 parent e89a04b commit a9cdcf4
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Showing 5 changed files with 3 additions and 2 deletions.
1 change: 1 addition & 0 deletions mddatasetbuilder/detect.py
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"""Detect from trajectory."""

import pickle
from abc import ABCMeta, abstractmethod
from collections import defaultdict
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1 change: 1 addition & 0 deletions mddatasetbuilder/utils.py
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"""Utils."""

import itertools
import pickle
from multiprocessing import Pool, Semaphore
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1 change: 0 additions & 1 deletion setup.py
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"""Use 'pip install .' to install mddatasetbuilder."""


import os

from setuptools import Extension, setup
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1 change: 1 addition & 0 deletions tests/test_bond.py
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"""Test detecting bonds."""

import numpy as np
from ase import Atoms

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1 change: 0 additions & 1 deletion tests/test_datasetbuilder.py
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"""Test."""


import hashlib
import json
import math
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