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2018-11-14Clean up set_dim_structure_entry() and parsing of "dimX" in geometry fileThomas White
Fixes CRYS-212
2018-11-02Fix possibly uninitialised dataf in read_cbf_data()Thomas White
2018-11-02Change a couple of important asserts to if statementsThomas White
2018-10-30peakfinder8: Fix some use-after-free errorsThomas White
2018-10-22fix freeing unallocated memoryYaroslav Gevorkov
2018-10-15xgandalf: always return centered cell, if it was providedYaroslav Gevorkov
2018-09-28mosflm: Check for existence of unit cell before checking centeringThomas White
2018-09-27Write in stream whether crystal was selected as a "hit" or notThomas White
2018-09-27xds: Also set unique axisThomas White
2018-09-27xds: Increase INDEX_ERROR to 0.2Thomas White
As recommended on the XDSwiki for indexing individual frames
2018-09-27xds: Read final unit cell, i.e. after refinementThomas White
Previously, we were reading the very first cell to pop out of the indexing, which didn't even follow the requested lattice type or centering. The result was that XDS couldn't index any centered lattices without cell combinations.
2018-09-27xds: Fix space groups for latticesThomas White
2018-09-26parse_symmetry_operations(): Handle numbers, e.g. k-2hThomas White
2018-09-25Add warning about monoclinic I cells when using MosflmThomas White
2018-09-20Don't give P centering to Mosflm when not providing cell parametersThomas White
It's supposed to ignore it, but apparently it doesn't.
2018-09-20Allow cbf.gz buffer to grow if the file is largeThomas White
2018-09-20Handle gzipped CBF filesThomas White
2018-09-20Stop reading "simply" if file type is unknownThomas White
2018-09-20Factorise CBF data readThomas White
2018-09-19Stop opening file if it's not recognisedThomas White
2018-09-19Handle 16bpp CBFs (as well as 32bpp)Thomas White
2018-09-11Fix header dependencies between reflist.h and crystal.hThomas White
2018-09-10Merge branch 'tom/deltacchalf'Thomas White
2018-09-10Make sure reflection contribution list gets freedThomas White
2018-09-10Fussiness / formattingThomas White
2018-09-10indexamajig: read pink beam spectrum from fileAlexandra Tolstikova
2018-09-10Change image.spectrum to image.spectrum0 to use a different structure for ↵Alexandra Tolstikova
spectrum.
2018-09-10pattern_sim: read spectrum from fileAlexandra Tolstikova
2018-09-10Initialise audit info string when readingThomas White
2018-08-30Formatting fussinessThomas White
2018-08-30RefList: add contribution listThomas White
2018-08-30Reword error messages about dimensions in geometry fileThomas White
2018-07-27indexamajig: Complain if profile radius determination failsThomas White
2018-07-11reduce minimum angle separation for similarity check of latticesYaroslav Gevorkov
2018-07-10Install the headersThomas White
2018-07-10Delete mosflm.lp and SUMMARY when cleaning up temporary folderThomas White
2018-07-09Fix typoThomas White
2018-07-09Add number of indexing attempts to streamThomas White
2018-06-29Merge branch 'tom/xgandalf'Thomas White
2018-06-28Tidy up files created by Mosflm and Felix during probeThomas White
2018-06-28Felix: Complain if cell not providedThomas White
Prevents a confusing error message that Felix doesn't work, when in fact the problem is that no cell has been given (and Felix needs one).
2018-06-28Remove worker process numbers from temporary filenamesThomas White
Since we've had the separate worker folders for a long time, it's not needed any more. Removing them will make the temporary folders easier to clean up.
2018-06-21Fix OpenCL tests and includesThomas White
2018-06-20Formatting fussinessThomas White
2018-06-20Add GPL headingsThomas White
2018-06-20Tidy up xgandalf printfsThomas White
2018-06-19Fix FFTW include dirThomas White
2018-06-19Simplify pkg-config stuffThomas White
Use it directly (no fallbacks, at least not until someone really needs it). Also, use the full LDFLAGS instead of just LIBRARIES, because the former also includes the link directories.
2018-06-18Add externThomas White
2018-06-18Remove stray _Thomas White
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