Files
Jungfraujoch/tests
leonarski_fandClaude Opus 5.5 e39489dfe0 ModelScaleGPU: the rigid body's scale fit on the GPU
gemmi's Scaling<float> fit as RigidBodyTarget uses it - fit_isotropic_b_approximately() and the
Levenberg-Marquardt of fit_parameters() with k_sol and b_sol fixed - and FitModelScale's k_sol/b_sol
grid, with the sums over the reflections on the device (double, fixed launch shape, shuffle tree per
warp, warps and then blocks summed in order: no float atomics, bit-identical repeats). The LevMar
control is gemmi's, ported line for line to the host and unrolled into its requests, so the 88 coarse
and up to 25 fine grid fits share one launch per step.

Against gemmi on real zone hkl sets with synthetic amplitudes: k_overall and b* within 1e-9..1e-5
relative, the same grid winner every time, R within 1e-7.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01D1G8gJVAy6gp1K5Dz3NE5C
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