find rotation axes - Githubissues

LePingKYXK / symmetry

Find symmetry point group of molecules

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Open LePingKYXK opened 4 years ago

LePingKYXK commented 4 years ago

LePingKYXK commented 4 years ago

[ ] find the axis for proper rotations.

[ ] find the axis for improper rotations.

a test version of the "check rotational symmetry" function has updated, which implements the Rotation method from the scipy.spatial.transform module.