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Update test_core_recipes.py
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Andrew-S-Rosen authored Feb 28, 2024
1 parent 7c5f0e8 commit 7329486
Showing 1 changed file with 0 additions and 19 deletions.
19 changes: 0 additions & 19 deletions tests/core/recipes/mlp_recipes/test_core_recipes.py
Original file line number Diff line number Diff line change
Expand Up @@ -5,11 +5,8 @@
import numpy as np
from ase.build import bulk

from quacc import SETTINGS
from quacc.recipes.mlp.core import relax_job, static_job

DEFAULT_SETTINGS = SETTINGS.model_copy()

methods = []
try:
import mace
Expand Down Expand Up @@ -126,19 +123,3 @@ def test_relax_cell_job(tmp_path, monkeypatch, method):
assert output["atoms"] != atoms
assert output["atoms"].get_volume() != pytest.approx(atoms.get_volume())


def test_relax_job_threads(tmp_path, monkeypatch):
monkeypatch.chdir(tmp_path)

from quacc import SETTINGS

SETTINGS.CHDIR = False

_set_dtype(64)

atoms = bulk("Cu") * (2, 2, 2)
atoms[0].position += 0.1
output = relax_job(atoms, method=method)
assert output["results"]["energy"] == pytest.approx(-32.6711566550002)

SETTINGS.CHDIR = DEFAULT_SETTINGS.CHDIR

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