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_translation or 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 Geometry class)
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:
idx_from_translationor whatever functions which also check atom types etcGeometryclass)