leonarski_fandClaude Opus 5.5 9512736731 Merge branch 'mv-cpu' into rc175: model validation CPU path - parallel density and mask, faster model-scale fits (exact) ...

Exact: p.hkl, MTZ and map data, p_model.pdb identical at -N 1/default/-N 8 on 9 sets (CPU build and GPU build on
the CPU path); GPU path unchanged. Indicative: 8xtg CPU validation 32-41 -> 23-25 s.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>

2026-10-10 11:52:55 +02:00

..

CMakeLists.txt

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

ModelDensityGPU.cu

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

ModelDensityGPU.h

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

ModelFFT.cpp

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelFFT.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelGrid.cpp

ModelGrid: an atom's points within its radius are gathered, then gridded in one vectorised pass

2026-10-10 10:47:27 +02:00

ModelGrid.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelMaskGPU.cu

ModelMaskGPU: gemmi's shrink step, so fine rigid-body zones stay on the GPU

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ModelMaskGPU.h

ModelMaskGPU: gemmi's shrink step, so fine rigid-body zones stay on the GPU

2026-10-09 12:38:37 +02:00

ModelScaleGPU.cu

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelScaleGPU.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelScaling.cpp

ModelScaling: the LM matrices after an accepted step reuse the step's exp(-B/4 h.h)

2026-10-10 11:22:26 +02:00

ModelScaling.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelStructureFactorsGPU.cpp

Merge branch 'modelpar' into gpusf

2026-10-09 13:51:41 +02:00

ModelStructureFactorsGPU.cu

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

ModelStructureFactorsGPU.h

Merge branch 'modelpar' into gpusf

2026-10-09 13:51:41 +02:00

ModelStructureFactorsGPUEngine.h

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

ModelValidation.cpp

Merge branch 'mv-cpu' into rc175: model validation CPU path - parallel density and mask, faster model-scale fits (exact)

2026-10-10 11:52:55 +02:00

ModelValidation.h

rugnux --model: score the twin hypothesis too, and take the maps from the merge the model prefers

2026-10-09 19:40:22 +02:00

RigidBodyGPU.cpp

GPU engines wait for their stream before their buffers go; a lost context fails where it is seen

2026-10-10 10:59:24 +02:00

RigidBodyGPU.cu

Merge branch 'modelpar' into gpusf

2026-10-09 13:51:41 +02:00

RigidBodyGPU.h

Merge branch 'modelpar' into gpusf

2026-10-09 13:51:41 +02:00

RigidBodyGPUEngine.h

Merge branch 'modelpar' into gpusf

2026-10-09 13:51:41 +02:00

RigidBodyRefine.cpp

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

RigidBodyRefine.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

SigmaA.cpp

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

SigmaA.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00