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Fix regressiont tests
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frostedoyster committed Dec 16, 2024
1 parent 9199e41 commit 8f18a7e
Showing 1 changed file with 7 additions and 7 deletions.
14 changes: 7 additions & 7 deletions src/metatrain/experimental/soap_bpnn/tests/test_regression.py
Original file line number Diff line number Diff line change
Expand Up @@ -110,17 +110,17 @@ def test_regression_train():

expected_output = torch.tensor(
[
[-0.080593876541],
[0.048118606210],
[0.037287645042],
[-0.000409360975],
[-0.039579294622],
[-0.080725602806],
[0.047979712486],
[0.037202924490],
[-0.001542337239],
[-0.040667790920],
]
)

# if you need to change the hardcoded values:
torch.set_printoptions(precision=12)
print(output["mtt::U0"].block().values)
# torch.set_printoptions(precision=12)
# print(output["mtt::U0"].block().values)

torch.testing.assert_close(
output["mtt::U0"].block().values, expected_output, rtol=1e-5, atol=1e-5
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