leonarski_fandClaude Opus 5.5 d91fc7ca3d Merge mr-gpumem (51706641f) into rc175: RESULT-CHANGING (owner approved, float rounding): molecular replacement's transform FFT on the GPU wherever it fits the search's budget ...

4nwv molecular replacement 31.7 -> 20.1 s; outputs identical on myob, cytochrome C and 4nwv on the RTX 5080.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>

2026-10-15 13:53:02 +02:00

..

azint

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

beam_stop

rugnux pre-scan: projection and defective pixels per card, the sample read once, beam stop memoised

2026-10-12 08:11:05 +02:00

bragg_integration

RESULT-CHANGING (owner approved, ulp level): Metal profile fit, CPU Gaussian from a shared exp

2026-10-15 08:18:43 +02:00

bragg_prediction

Bragg prediction: rotation partiality in the tail from erfc, the same on CPU and GPU

2026-10-13 16:10:38 +02:00

dark_mask_analysis

v1.0.0-rc.148 (#58)

2026-06-08 08:30:35 +02:00

geom_refinement

Merge cufft-cache into rc175: cuFFT plans reused within a rugnux run and destroyed when it ends, output unchanged

2026-10-14 22:12:53 +02:00

hot_pixels

rugnux pre-scan: projection and defective pixels per card, the sample read once, beam stop memoised

2026-10-12 08:11:05 +02:00

image_preprocessing

GPU: kernels read host buffers in place on unified-memory systems

2026-10-14 21:49:37 +02:00

indexing

GPU memory: a probe pass hands its memory to the card when it ends

2026-10-15 12:52:14 +02:00

lattice_search

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

roi

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

rotation_indexer

Indexer failures are thrown, not read as "no lattice"; GPU memory errors say what to do

2026-10-10 18:56:00 +02:00

scale_merge

Rotation scaling on the GPU: a partial's frame from the frame CSR, its two flag bytes in one, output unchanged

2026-10-15 12:05:48 +02:00

spot_finding

AdaptiveSpotFinderCPU: ring histogram indexed [value][ring], output unchanged

2026-10-14 19:42:31 +02:00

structure_refinement

RESULT-CHANGING: molecular replacement's transform FFT on the GPU wherever it fits the search's budget

2026-10-15 13:41:48 +02:00

CMakeLists.txt

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

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

IndexAndRefine.cpp

Revert "PROTOTYPE (owner decision): ffbidx stills index each frame with one call on all spots"

2026-10-14 14:58:34 +02:00

IndexAndRefine.h

PROTOTYPE (owner decision): stills min-pix choice searches the lattice once per frame, ~2x faster

2026-10-14 10:34:04 +02:00

IntegrationOutcome.h

v1.0.0-rc.172 (#82)

2026-09-22 06:48:37 +02:00

LoadFCalcFromMtz.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

LoadFCalcFromMtz.h

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

MXAnalysisAfterFPGA.cpp

1.0.0-rc.174 (#84)

2026-10-06 14:03:18 +02:00

MXAnalysisAfterFPGA.h

v1.0.0-rc.156 (#66)

2026-07-03 19:18:56 +02:00

MXAnalysisWithoutFPGA.cpp

Metal Bragg integration engine on macOS, output unchanged (bit-identical to the CPU engine)

2026-10-14 23:18:42 +02:00

MXAnalysisWithoutFPGA.h

rugnux two-pass: the integration radius decided on the pre-pass frames, before the canonical pass

2026-10-11 13:01:23 +02:00

ReflectionArena.h

v1.0.0-rc.172 (#82)

2026-09-22 06:48:37 +02:00

SensorAbsorption.h

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

UpdateReflectionResolution.cpp

v1.0.0-rc.167 (#77)

2026-09-09 07:25:13 +02:00

UpdateReflectionResolution.h

v1.0.0-rc.172 (#82)

2026-09-22 06:48:37 +02:00

WriteReflections.cpp

RESULT-CHANGING (owner approved): stills unmerged MTZ written only for the crystals on the run's cell

2026-10-14 13:15:13 +02:00

WriteReflections.h

Merged mmCIF: drop the scaled unmerged block

2026-10-09 18:51:56 +02:00