Add (Structure|Molecule).calculate()
+ Molecule.relax()
, improve Structure.relax()
#2094
Annotations
5 errors
pytest (macos-latest, 3.11, 4)
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pytest (macos-latest, 3.9, 2)
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pytest (macos-latest, 3.8, 1)
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pytest (macos-latest, 3.10, 3)
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