Add from_space_group() class method to PointGroup

Open kaueltzen opened this issue 1 year ago • 0 comments

Feature Requested

References PR #3859 , specifically https://github.com/materialsproject/pymatgen/pull/3859#discussion_r1626142699

A class method from_space_group() will be added to the PointGroup class to instantiate point groups that belong to the 32 crystal classes from a SpaceGroup symbol. This will also resolve inhomogeneous symmetry notations (Schoenflies and Hermann Mauguin) within one SpaceGroup object or a dataset. https://github.com/materialsproject/pymatgen/blob/163cc01e0251525f5ab8f48776511411754012a9/pymatgen/symmetry/groups.py#L232

Proposed Solution

Will be implemented in PR #3859 .

Relevant Information

No response

Jun 05 '24 08:06 kaueltzen