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Bug in inverse of MagSymmOp #4023

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ShotaNamerikawa opened this issue Aug 29, 2024 · 0 comments · May be fixed by #4113
Open

Bug in inverse of MagSymmOp #4023

ShotaNamerikawa opened this issue Aug 29, 2024 · 0 comments · May be fixed by #4113
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@ShotaNamerikawa
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ShotaNamerikawa commented Aug 29, 2024

Python version

Python 3.11.7

Pymatgen version

2023.7.18

Operating system version

No response

Current behavior

When the inverse of MagSymmOp is called, an error, TypeError: MagSymmOp.__init__() missing 1 required positional argument: 'time_reversal', happens. This is probably because, in the definition in class SymmOp,

@property
def inverse(self) -> Self:
    """Inverse of transformation."""
    inverse = np.linalg.inv(self.affine_matrix)
    return type(self)(inverse)

type(self) does not take a time_reversal argument.

Expected Behavior

returns a MagSymmOp instance whose affine_matrix is inversed.

Minimal example

No response

Relevant files to reproduce this bug

No response

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