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Adaptive integration for truncated octahedron#710

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pkienzle wants to merge 30 commits intomasterfrom
adaptive-octahedron
Open

Adaptive integration for truncated octahedron#710
pkienzle wants to merge 30 commits intomasterfrom
adaptive-octahedron

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Modified the truncated octahedron function to use simple adaptive integration. Applies after #658

I reordered the axes for speed and accuracy, and adjusted the equations to minimize computation.

Note that the formula is suspicious since the limit as q -> 0 diverges. However setting t=1 (no truncation) and simplifying, the form matches that in 1, Appendix A, which also diverges. This cites 2, but I don't have access to verify the original derivation.

  1. Wei-Ren Chen et al. "Scattering functions of Platonic solids".
    In: Journal of Applied Crystallography - J APPL CRYST 44 (June 2011).
    DOI: 10.1107/S0021889811011691

  2. Stokes, A. R. & Wilson, A. J. C. (1942). Math. Proc. Camb. Philos.
    Soc. 38, 313–322. https://doi.org/10.1017/S0305004100021988

Paul Kienzle and others added 29 commits July 25, 2025 19:28
…sasmodels into ticket-535-adaptive-integration
…sasmodels into ticket-535-adaptive-integration
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