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Core: generalize calculation of topological charge
Now that #292 has been closed due to the merge of PR #424, the topological charge can be calculated for 2D geometries in the xy-plane. It should be improved in the following ways:
- triangles should be translated into triplets, i.e. indices and translations in order to generalize the implementation for arbitrary orientations of the plane and boundary conditions, using the
idx_from_translationor whatever functions which also check atom types etc - the calculation should be independent of the orientation of the plane
- calculate distribution of charge over atoms (in parallel!) and total charge by reduction
- add checks that the geometry is 2D (ask the
Geometryclass)