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2019-09-12Accept --indexing=pinkindexer (lower case)Thomas White
2019-09-12Set task name for PinkIndexerThomas White
2019-09-12Fix header include pathThomas White
2019-09-12Format help items for pinkIndexerThomas White
2019-09-12Add GPL boilerplateThomas White
2019-09-12WhitespaceThomas White
2019-09-12pinkIndexer: Formatting, and get rid of tmp_enumThomas White
2019-09-12Use hard-coded default bandwidth for pinkIndexerThomas White
(Temporarily)
2019-09-12Use +INFINITY instead of FLT_MAXThomas White
2019-09-12Add pinkIndexer interfaceYaroslav Gevorkov
2019-09-12Fix possibly uninitialised overlap_integralThomas White
Introduced by b6af09d78d49d552a05b81bd20a7854a180373f5
2019-09-12Fix possibly uninitialised CiAMCBThomas White
2019-09-10indexamajig: Add --peaks=noneThomas White
2019-09-10sort_peaks(): Handle NULL peak listThomas White
2019-09-09turbo-index-slurm: Remove --workdir optionThomas White
In the latest version, it's been renamed to --chdir. But it's not necessary anyway. The default working directory is the sbatch caller's directory.
2019-09-06Use new peak check only when doing multi-lattice indexingThomas White
2019-09-06New check for indexing solutions (copied across from pinkIndexer)Thomas White
2019-09-05process_hkl: Set kpred for all reflections to image valueThomas White
Since the prediction calculation isn't called by process_hkl (in contrast to partialator), a value must still be provided.
2019-09-05partialator: Correct polarisation after update_predictions()Thomas White
Polarisation correction needs kpred values.
2019-09-05Allow the polarsation correction to be completely disabledThomas White
2019-09-03Fix memory leak in event queueThomas White
2019-09-03Fix memory leaks in cell comparisonThomas White
2019-09-03get_detector_geometry_from_string: Fix memory leaksThomas White
2019-09-02Add tests/polarisation_check (not in 'make test' list)Thomas White
2019-09-02indexamajig(1): Fix capitalisationThomas White
2019-09-02Don't need separate wavelength for polarisation correctionThomas White
Can use kpred
2019-09-02process_hkl,partialator: Allow arbitrary direction and degree of polarisationThomas White
2019-08-29compare_reindexed_cell_parameters: Increase number of possibilities in final ↵Thomas White
permutation check More than 5 possible when there are axes with similar lengths.
2019-08-29prediction_gradient_check: Reduce bandwidthThomas White
Gradients are only correct for monochromatic radiation
2019-08-29Fix commentThomas White
2019-08-29Use compare_cell_parameters for after-refinement cell checkThomas White
No need to do all the cell reduction stuff again.
2019-08-29indexamajig: Remove --no-cell-combinationsThomas White
Also remove all the related API stuff. We now have a much better way of checking indexing results.
2019-08-29mosflm: Rename check_cell to check_mosflm_cellThomas White
Avoids duplicated function name
2019-08-28prediction_gradient_check, prof2d_check: Set up Spectrum structureThomas White
2019-08-28Merge branch 'tom/newcellcheck'Thomas White
2019-08-28compare_reindexed_cell_parameters: (Sort of) intelligent choice of solutionThomas White
2019-08-28Rationalise matrix mutliplicationThomas White
compare_reindexed_cell_parameters still needs to be updated
2019-08-28cell_explorer: Add a warningThomas White
2019-08-28Avoid converting IntegerMatrix to RationalMatrixThomas White
2019-08-27cell_tool: Clarify interpretation of tolerancesThomas White
2019-08-26cell_tool: Just do all the comparisons, get rid of --cslThomas White
2019-08-26Fix resolution estimationThomas White
Didn't work when the number of peaks was very low.
2019-08-26Formatting/fussinessThomas White
2019-08-26loop prediction for gaussian sum spectrumWolfgang Brehm
2019-08-26add stable inline mean variance functionWolfgang Brehm
2019-08-23Fix Niggli reduction logicThomas White
2019-08-22cellcompare_check: Fix terminology, and reduce number of trialsThomas White
2019-08-22Remove match_cell and match_cell_abThomas White
2019-08-22cellcompare_check: Variable for number of trialsThomas White
2019-08-22Fix matrix multiplicationThomas White
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