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Integration tests are failing #1085

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liamhuber opened this issue Jun 16, 2023 · 0 comments · Fixed by #1086
Closed

Integration tests are failing #1085

liamhuber opened this issue Jun 16, 2023 · 0 comments · Fixed by #1086
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@liamhuber
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Over in #1068 I added two integration tests, so I actually ran them and we're getting a whole host of failures. None of them are related to what I'm doing there -- the new tests are passing fine -- so I'm going to ignore it in that PR, but we should patch these up.

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ERROR: test_Fe_ferro_C (tests_sphinx_sphinx_check_all.TestSphinx)
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Traceback (most recent call last):
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/test_integration/tests_sphinx_sphinx_check_all.py", line 73, in test_Fe_ferro_C
    job.structure.set_initial_magnetic_moments([2, 2])
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/pyiron_atomistics/atomistics/structure/atoms.py", line 2631, in set_initial_magnetic_moments
    raise ValueError("magmoms can be collinear or non-collinear.")
ValueError: magmoms can be collinear or non-collinear.

======================================================================
ERROR: test_Fe_ferro_constraint (tests_sphinx_sphinx_check_all.TestSphinx)
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Traceback (most recent call last):
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/test_integration/tests_sphinx_sphinx_check_all.py", line 125, in test_Fe_ferro_constraint
    job.structure.set_initial_magnetic_moments([2, 2])
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/pyiron_atomistics/atomistics/structure/atoms.py", line 2631, in set_initial_magnetic_moments
    raise ValueError("magmoms can be collinear or non-collinear.")
ValueError: magmoms can be collinear or non-collinear.

======================================================================
ERROR: test_Fe_nonmag (tests_sphinx_sphinx_check_all.TestSphinx)
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Traceback (most recent call last):
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/test_integration/tests_sphinx_sphinx_check_all.py", line 61, in test_Fe_nonmag
    job.structure.set_initial_magnetic_moments([2, 2])
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/pyiron_atomistics/atomistics/structure/atoms.py", line 2631, in set_initial_magnetic_moments
    raise ValueError("magmoms can be collinear or non-collinear.")
ValueError: magmoms can be collinear or non-collinear.

======================================================================
ERROR: test_sxextopt_Fe (tests_sphinx_sphinx_check_all.TestSphinx)
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Traceback (most recent call last):
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/test_integration/tests_sphinx_sphinx_check_all.py", line 166, in test_sxextopt_Fe
    spx.structure.set_initial_magnetic_moments([2, 2])
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/pyiron_atomistics/atomistics/structure/atoms.py", line 2631, in set_initial_magnetic_moments
    raise ValueError("magmoms can be collinear or non-collinear.")
ValueError: magmoms can be collinear or non-collinear.

======================================================================
FAIL: test_Al_minimize (tests_sphinx_sphinx_check_all.TestSphinx)
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Traceback (most recent call last):
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/test_integration/tests_sphinx_sphinx_check_all.py", line 106, in test_Al_minimize
    self.assertGreater(E[0], E[1], 'Energy not decreased')
AssertionError: -57.19326599140298 not greater than -57.19326592068059 : Energy not decreased

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