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