Supercell finding rountine targeting 3d cubic cells with minimum lattice...
Implemented modularized version of find_optimal_cell_shape which allows selecting different scoring functions (one additional implemented) and different size selection (minimal_size switch). The existing scoring function did not consider cell angles. For sc the 2D case can be easily implemented (needs to be done). Unit tests are updated but a test for showing comparison between different scoring functions needs to be implemented (find a draft attached). Implemented target_length option to enforce a given minimum cell length at minimal size.
Closes #1618 (closed)
Edited by Silvan Kretschmer