leonarski_fandClaude Opus 5.5
dff1543bd7
Ceres evaluates some points twice - the residuals alone to decide whether to take a step, then residuals and Jacobian together at the same point - and every evaluation is a full Fcalc, a solvent mask and a scale fit. The residuals are a function of the placement alone (the zone's bulk solvent is fixed by its first evaluation), so the second computation is replaced by a copy of the first. On the null of a 1.63 A P2 set the replicates' evaluations drop 46/64/72/89/136 -> 44/59/68/82/123, and each saved evaluation is a serial one on the replicate's critical path. With the previous commit the null there goes 152 s -> 87 s (27 busy cores); 8sa8 60 -> 53 s. Exact: p.hkl, p.mtz, p.cif, p_maps.mtz, p_model.cif byte-identical to rc173 and the model-validation report unchanged on 9hnc, 8sa8, 8xtg, 9fhc, 5epe, 6oel (battery commands, --model); rigid-body rotations and translations in the log identical. [ModelValidation] tests pass. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01D1G8gJVAy6gp1K5Dz3NE5C
Jungfraujoch
Application to receive data from the PSI JUNGFRAU and EIGER detectors.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.