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Description
Describe the bug
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I run through the example code at https://v3.pyscal.org/en/latest/examples/13_short_range_order.html, but it does not work.
To Reproduce
Steps to reproduce the behavior:
sys.find.neighbors(method='cutoff', cutoff=3)
sys.chemical.short_range_order()
Expected behavior
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It shows:
In [154]: sys.find.neighbors(method='cutoff', cutoff=cutoff)
In [155]: sys.chemical.short_range_order()
--------------------------------------------------------------------------
IndexError Traceback (most recent call last)
Cell In[155], line 1
----> 1 sys.chemical.short_range_order()
File ~/opt/anaconda3/envs/pyaet/lib/python3.11/site-packages/pyscal3/operations/chemical.py:67, in calculate_sro(system, reference_type, compare_type, average)
63 system._check_neighbors()
65 cdict = system.atoms.composition_ints
---> 67 neighbortypes = system.atoms["types"][system.atoms['neighbors']]
68 comp_dicts = [_get_dict(neighbortype, cdict) for neighbortype in neighbortypes]
69 local_comp = np.array([d[reference_type] for d in comp_dicts])
IndexError: arrays used as indices must be of integer (or boolean) type
In [156]:
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Desktop (please complete the following information):
- MacOS
- pyscal3 3.2.7 pypi_0 pypi
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