[ase-users] tuple in atoms.center ?

[Matt Addicoat]

Hi,

In the center function, if no axis is passed, a tuple, (0,1,2) is
created. If you do pass as axis, the else block is clearly meaning to
also create a tuple from whatever is passed as the axes parameter.

However when I pass a list; [0, 1], it actually creates a tuple of one
element; ([0, 1],) and the subsequent np.dot fails.

Changing the line:

axes = (axis,)

to
axes = tuple(axis)

creates the expected tuple; (0,1) and everything else appears to work fine.

Is this a minor bug? If not, how should one pass the axes to this function?

Warm Regards,
Matt