56 lines
2.6 KiB
Markdown
56 lines
2.6 KiB
Markdown
TODO list before 1.0 release
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============================
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- Tests!
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- Docs!
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- Cross section calculations. (Done in some Python scripts.)
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- Field calculations. (Partly done, needs more testing.)
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* Also test periodic vs. nonperiodic consistence (big finite lattice + absorbing medium vs. infinite lattice + absorbing medium).
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- Complex frequencies, n's, k's. (Mostly done.)
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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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Optimisations
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-------------
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- Leaving out the irrelevant elements if a "rectangular" block of the translations matrix is needed.
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- Ewald sums with "non-parallel" shifts (are about 20 times slower than the purely parallel ones).
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- Reusing intermediate results (profiling needed)
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* Bessel, Legendre functions (see also branch `finite_lattice_speedup`)
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* Lattice points (sorting and scaling)
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* Γ/Δ functions (for periodic lattices)
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- More parallelisation.
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- Possibly pre-calculation of the (precise) coefficients in Bessel and Legendre functions (using gmp)
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- Asymptotic approximations of the Bessel functions for far fields.
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