leonarski_f pushed to gitea-pages at rugnux/Gitea-pages 2026-10-27 13:51:56 +01:00
f16068f65b Deploy site from main 63f5f9613
leonarski_f released Release 1.0.0-rc.180 at mx/Jungfraujoch 2026-10-27 13:19:33 +01:00
leonarski_f pushed tag 1.0.0-rc.180 to mx/Jungfraujoch 2026-10-27 13:19:33 +01:00
leonarski_f pushed to main at mx/Jungfraujoch 2026-10-27 13:18:43 +01:00
63f5f96132 v1.0.0-rc.180 (#91)
leonarski_f merged pull request mx/Jungfraujoch#91 2026-10-27 13:18:43 +01:00
v1.0.0-rc.180
leonarski_f created pull request mx/Jungfraujoch#91 2026-10-27 13:18:35 +01:00
v1.0.0-rc.180
leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-27 11:04:25 +01:00
7782e304ed RESULT-CHANGING: Refinement: atoms gridded out to a density of 1e-4 e/A^3, not 1e-5
a645d0a9fd docs: front page names the reimplemented algorithms and generative AI in the licence section, and says the licences' sharing condition plainly
3006f2bb33 docs: front page footer says the software reimplements existing algorithms, moved to the GPU and made faster, and was developed with the help of generative AI
4fd2bf231d docs: front page says "structures" rather than "refined structures", names the programs' user operation at the SLS 2.0 MX beamlines, and carries the PSI logo
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leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-27 07:45:07 +01:00
546566cff4 Refinement: the gather's pairs built in fixed-shape buffers, and each evaluation replayed as a CUDA graph
d7c15c629e Rotation tail: the final merge made ahead on a spare card, in the groups the run is expected to adopt
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leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-26 23:18:49 +01:00
037c32d9fb Error model: ISa is reported only where b is the solution of a fit - not beside a clamped a, not when b was held at zero, and on stills under the same rule
d122118d73 Refinement: the per-evaluation host chain on the threads and in place
b16873036c Refinement: density records sent from pinned memory, and the L-BFGS direction in fused sweeps
3189f71e8f Refinement: the engine polls for its evaluations and the pair count comes back pinned; the slots beyond one per card go to the cards the ladder's long trials leave free
68e567bd02 Tail: the molecular replacement of a prediction or --mr starts beside the analyses; a pass's integrated observations are handed back on a thread of their own
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leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-26 16:59:36 +01:00
067f3a7d7b docs landing: Rugnux card names synchrotron rotation and XFEL serial data and links the public test-data lists; footer motto removed
leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-26 16:55:27 +01:00
2736f4c85e Docs landing page: the hero is a live Rugnux run - a frame, the placed model in its density, the timeline
2e296e6bed jfjoch_writer: the live refinement's model, maps and blobs are written beside the master file
2461d67e14 NXmx: the unit cell's e.s.d.s are saved as /entry/sample/unit_cell_esd
d50b3d7034 CI: the documentation goes to rugnux/gitea-pages only when a release is created
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leonarski_f pushed to gitea-pages at rugnux/Gitea-pages 2026-10-26 16:18:35 +01:00
4b109669db Deploy site from rc180 9830fe9dd
leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-26 15:42:52 +01:00
9830fe9dd0 broker: redoc regenerated from the merged API (blob distance optional, live refinement on the CPU too)
825b88c19d CHANGELOG: 1.0.0-rc.180 entry
13bd9db55c Refinement: a B factor is held at its bound by the whole target's gradient, restraints included
2be88e11e3 Refinement restraints: contacts with lattice translates are kept, and an atom's own symmetry contact once
470fc4e479 ffbidx (vendored): INDEXER_GPU_DEVICE is not read, the indexer stays on the thread's pinned GPU
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leonarski_f pushed to gitea-pages at rugnux/Gitea-pages 2026-10-26 13:55:24 +01:00
9b43075a8a Deploy site from rc180 d90bc6808
leonarski_f created branch gitea-pages in rugnux/Gitea-pages 2026-10-26 13:55:24 +01:00
leonarski_f created repository rugnux/Gitea-pages 2026-10-26 12:26:11 +01:00
leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-26 11:39:09 +01:00
d90bc68085 CI: the documentation also pushed to the gitea-pages branch of rugnux/gitea-pages, on every push for now (token test)
771e669f75 rugnux usage: -S on serial stills also settles the indexing ambiguity from the data
6491cc5a7e docs: serial-stills indexing ambiguity described the same way everywhere
0cc3129650 docs: refinement's GPU engine in GPU data analysis, refinement in the pipeline figures
e406eb17ea docs: refinement chapter (§15), REFINE_ report keys, acknowledgements and in-source credits
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leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-26 09:27:20 +01:00
13da79b788 Refinement GPU: the atom gradient kernel walks its box without integer division
4a8e13ddfa Refinement GPU engine: its waits on the stream asleep (blocking-sync event) rather than spinning
f34d2f4cca Refinement: the weight trials' own slots made while the placement runs
1f8b5b1986 Refinement: a Refit's solvent grid starts around where the context's last one ended
1f1aa18b67 ModelScaleGPU: the robust fit's median of the residuals on the device
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leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-26 06:53:50 +01:00
6da51dc5d7 rugnux: no --refine flag - a placed model is refined by default, --no-refine skips it
3882b0f062 Serial stills with a reference or model: crystals their own cells anchor keep that indexing
ba52aadbce rugnux: the geometry refinement algorithm is -r, --geom-refine; --refine was declared twice and its no-argument form shadowed it
a78bfe951d rugnux: a model and a reference among the inputs, in any order, told by their contents
794db0ca34 Refinement cut by the run's cancel; the hero shows the refined R-work / R-free
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leonarski_f pushed to rc180 at mx/Jungfraujoch 2026-10-25 20:10:20 +01:00
2daa173859 docs: --model on serial stills - breaking the indexing ambiguity is the one thing taken from it before the merge, and why