TODO list before public release =============================== - Tests! - Docs! - Cross section calculations. - Field calculations. - Complex frequencies, n's, k's. - Transforming point (meta)generators. - Check whether moble's quaternions and my quaternions give the same results in tmatrices.py - Ewald summations of all types of lattices (dimensionality-wise). - Split lattices.h into separate point generator and lattice vector manipulation parts. * Maybe move something from the .h to .c file. - Check exact normalisation convention of scuff-tmatrix output. - Check whether the Condon-Shortley phase affects the form of Wigner matrices. - The xflip, yflip and possible i-factor problem. - General 3D point group symmetries. * Instead the current hard-coded limited set. * The generation, finding subgroups etc. should be "easy" with quaternions and stuff, as the set is quite limited, see [Wikipedia](https://en.wikipedia.org/wiki/Point_groups_in_three_dimensions). * Not sure about the representations, though. * As a description of a T-matrix / particle metadata. - Nice CLI for all general enough utilities. - Remove legacy code. - Split qpms_c.pyx. - Reduce compiler warnings. - Python exceptions instead of hard crashes in the C library where possible. - Scatsystem init sometimes fail due to rounding errors and hardcoded absolute tolerance in the qpms_tmatrix_isclose() call. - Prefix all identifiers. Maybe think about a different prefix than qpms? - Consistent indentation and style overall. - Rewrite the parallelized translation matrix, mode problem matrix generators in a way that reuses as much code as possible without copypasting Nice but less important features -------------------------------- - Static, thread-safe caches of constant coefficients + API without the current "calculators".