1import pytest
2import numpy as np
3from ase import Atoms
4
5
6@pytest.fixture
7def lammpsdata_file_path(datadir):
8    return datadir / "lammpsdata_input.data"
9
10
11@pytest.fixture
12def atoms():
13    # Some constants used to initialize things
14    CELL_LENGTH = 102.3776
15    NATOMS = 3
16    MAX_VEL = 0.1
17
18    atoms_attrs = {
19        "cell": [CELL_LENGTH] * 3,
20        "positions": np.random.RandomState(17).rand(NATOMS, 3) * CELL_LENGTH,
21        "charges": [0.0] * NATOMS,
22        "velocities": np.random.RandomState(41).rand(NATOMS, 3) * MAX_VEL,
23        "numbers": [1] * NATOMS,
24        "pbc": [True] * 3,
25    }
26
27    return Atoms(**atoms_attrs)
28