| Age | Commit message (Collapse) | Author | |
|---|---|---|---|
| 2024-01-30 | asdf: Use FFTW arrays directly | Thomas White | |
| We don't need to fish out the arrays and use FFTW's "new array execution" functions: http://fftw.org/fftw3_doc/New_002darray-Execute-Functions.html | |||
| 2024-01-30 | GUI: Remove -et-al suffix from results name, if only one stream | Thomas White | |
| 2024-01-12 | Merge branch 'millepede-gui' | Thomas White | |
| 2024-01-12 | Update docs about --max-mille-level. | Thomas White | |
| 2024-01-12 | indexamajig: Implement --max-mille-level | Thomas White | |
| 2024-01-12 | GUI: Add missing icon files | Thomas White | |
| 2024-01-12 | align_detector: Enumerate directory contents if necessary | Thomas White | |
| 2024-01-12 | GUI: Fix Millepede options | Thomas White | |
| 2024-01-12 | GUI: Copy geometry file into indexing job folder | Thomas White | |
| This could be used for indexing, but it seems more transparent to have the "real" filename in the script for auditing. The geometry copy will be used for detector alignment. The alternative - extracting the geometry from the stream - seems quite a lot more complicated. | |||
| 2024-01-11 | GUI: Write Millepede data into folder | Thomas White | |
| 2024-01-11 | GUI: Implement align_detector | Thomas White | |
| 2024-01-11 | GUI: Switch to GtkFileChooserDialog for detector alignment | Thomas White | |
| Rationale: the refinement is very quick, and the output geometry file name is central to the process. | |||
| 2024-01-10 | GUI: Skeleton task for detector alignment | Thomas White | |
| 2024-01-10 | indexamajig: Start implementing --max-mille-level | Thomas White | |
| 2024-01-10 | GUI: Track Millepede options through project | Thomas White | |
| Note that the indexamajig option --max-mille-level isn't implemented yet. | |||
| 2024-01-10 | CrystFELIndexingOpts: Add Millepede output options | Thomas White | |
| 2024-01-10 | GUI: Remove detector-shift | Thomas White | |
| The script has been replaced with align_detector --level=0. | |||
| 2024-01-05 | get_hkl: Read MTZ files | Thomas White | |
| There are still some rough edges, e.g. it only works with a simple I/SIGI column (not I+/I-), and can't yet interpret the symmetry information in the file. However, it's still better than the old mtz2hkl script. Closes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/7 | |||
| 2024-01-05 | get_hkl: Free symmetry and output filename | Thomas White | |
| 2024-01-04 | Use prebuilt containers for CI pipeline | Parthasarathy Tirumalai | |
| The containers have all the development package dependencies and tools preinstalled to save time and network bandwidth in the Fedora 32 & 37 and Centos7 jobs. | |||
| 2023-12-22 | Formatting | Thomas White | |
| 2023-12-22 | indexamajig: Add --asapo-consumer-timeout | Thomas White | |
| This also reduces the default timeout to 500 ms. | |||
| 2023-12-22 | indexamajig: Add --no-data-timeout | Thomas White | |
| 2023-12-19 | Check for duplicate member in panel group | Thomas White | |
| Example: group_all = q0,q1,q2,q2 | |||
| 2023-12-19 | Meson: Move crystfel_geometry.5 inside check for Pandoc | Thomas White | |
| 2023-12-19 | index_pattern: Gracefully handle image with no peaks | Thomas White | |
| 2023-12-19 | Meson: Fix installation location for crystfel_geometry.5 | Thomas White | |
| Previously, this file ended up in man1, where it couldn't be found. | |||
| 2023-12-18 | Pin Millepede version to V04-13-06 | Thomas White | |
| Unfortunately, V04-14-00 cannot be compiled with older Meson versions (which we otherwise support) - they apparent confuse the old version of the Fortran dependency scanner with use of #ifdef. There's not currently much for us to gain from a more recent Millepede version, so this is the easiest solution. | |||
| 2023-11-07 | SLURM: Move all sbatch parameters into script | Thomas White | |
| This allows the user to re-run any job, if they want, or at least easily use the GUI's work as a template. | |||
| 2023-11-06 | SLURM: Expose reservation and QoS | Thomas White | |
| Closes: https://gitlab.desy.de/thomas.white/crystfel/-/issues/87 | |||
| 2023-10-16 | indexamajig(1): Correct an untruth about --peakfinder8-fast | Thomas White | |
| 2023-10-02 | align_detector: Try to find 'pede' next to align_detector binary | Thomas White | |
| Lots of things can go wrong here, in which case it falls back to the shell search path. | |||
| 2023-09-23 | indexamajig: Re-use the image data arrays | Thomas White | |
| We noticed that constant freeing and re-allocating the (potentially quite large) arrays resulted in much lower performance. Since we know that all images have the same data layout, we can safely re-use the arrays. This gives a large speedup. | |||
| 2023-09-23 | image_create_dp_bad_sat: Don't worry about "sat" | Thomas White | |
| The saturation array is created by create_satmap when needed, which takes care that all panels get an array (so we only have to check image->sat != NULL). The array created by image_create_dp_bad_sat was actually leaked! In any case, saturation maps are rarely used. We can do without the extra allocations. The routine name has been changed accordingly, to prevent future confusion. | |||
| 2023-09-23 | indexamajig: Add profile block for free-image | Thomas White | |
| 2023-09-23 | Fix a couple of profiling memory errors | Thomas White | |
| The "children" array was the wrong size, and not freed. Also, some formatting fussiness. | |||
| 2023-09-22 | Don't complain about missing 'all' group until it's actually needed | Thomas White | |
| 2023-09-21 | indexamajig: Increase buffer size for Mille filename | Thomas White | |
| With the prefix, it can get quite long. | |||
| 2023-09-21 | Update manual pages | Thomas White | |
| 2023-09-20 | crystfel_geometry(5): Convert to Markdown and re-structure | Thomas White | |
| Still some work to be done here, but it's already an improvement. | |||
| 2023-09-20 | CI: Add Pandoc to build-centos7 | Thomas White | |
| We'd like the manual pages to be built for the central deployment. | |||
| 2023-09-20 | indexamajig: Add --mille-dir | Thomas White | |
| 2023-09-20 | Update INSTALL.md | Thomas White | |
| 2023-09-20 | Add manual page for align_detector | Thomas White | |
| 2023-09-20 | Examples: Remove rigid groups | Thomas White | |
| These are now ignored, but shouldn't be in the examples. | |||
| 2023-09-20 | Fix inappropriate use of r_dev | Thomas White | |
| These should be get_exerr. Following 1ae9a4582, the r_dev values are no longer useful physical quantities, only a refinement target function. This was causing the last few Git versions to not predict any reflections at all! | |||
| 2023-09-19 | CI: Download only the required artifacts for each job | Thomas White | |
| 2023-09-19 | Meson: Remove unnecessary subproject poking | Thomas White | |
| The variable isn't needed, and just serves to break the build when Fortran isn't available. | |||
| 2023-09-19 | Prediction refinement: Weaken restraint and reduce number of iterations | Thomas White | |
| The restraint was way too strong, after the last round of tweaking. With a weaker restraint, the algorithm converges very quickly - it's practically linear - so ten iterations is way too much. | |||
| 2023-09-19 | CI: Remove gfortran from minimal build test | Thomas White | |
 |
index : CrystFEL | |
| Data processing for serial crystallography | Thomas White |
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