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Fixed the ACE tests
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examples/advanced/ex11_preprocess_ace_descriptors.py

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@@ -30,7 +30,6 @@
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parameters = mala.Parameters()
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# Bispectrum parameters.
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parameters.descriptors.descriptor_type = "ACE"
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parameters.descriptors.ace_cutoff_factor = 5.8
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parameters.descriptors.ace_included_expansion_ranks = [1, 2, 3]
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parameters.descriptors.ace_maximum_l_per_rank = [0, 1, 1]
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parameters.descriptors.ace_maximum_n_per_rank = [1, 1, 1]

test/descriptor_test.py

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@@ -106,7 +106,6 @@ def test_ace(self):
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"""Calculate ACE descriptors and check nothing has changed."""
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params = mala.Parameters()
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params.descriptors.descriptor_type = "ACE"
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params.descriptors.ace_cutoff_factor = 5.8
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params.descriptors.ace_included_expansion_ranks = [1, 2, 3]
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params.descriptors.ace_maximum_l_per_rank = [0, 1, 1]
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params.descriptors.ace_maximum_n_per_rank = [1, 1, 1]

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