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2019-10-11Copy target cell's lattice type and unique axis into cell from indexing, ↵Thomas White
after comparison
2019-09-26Restore CMake stuff for PinkIndexerThomas White
See 3fe28041e where it was temporarily removed.
2019-09-23Get rid of "rescut" integration flagThomas White
Its behaviour is 100% covered by the push-res parameter, which can be set to infinity for no cutoff.
2019-09-23Remove private option structures from iargsThomas White
2019-09-23Merge branch 'tom/pinkindexer'Thomas White
2019-09-20Delegate option processing for indexing methodsThomas White
Involves switching from getopt_long to argp. A big improvement!
2019-09-17Add warning if reflections could not be integrated (e.g. due to overlap)Thomas White
2019-09-16Fix cell comparison logicThomas White
2019-09-13Remove unused checksThomas White
Add them back in when they're actually used, of course
2019-09-12Fix sign of zl comparisonThomas White
2019-09-12Restore default bandwidth (if not specified in geometry file)Thomas White
2019-09-12Fix logicThomas White
2019-09-12Force --no-check-peaks and --no-refine if pinkIndexer is used, and add a warningThomas White
2019-09-12Increase indexing timeout when using pinkIndexerThomas White
2019-09-12Add indexing_methods() to examine the actual list of methodsThomas White
2019-09-12Remove message directing to old optionThomas White
2019-09-12Avoid duplication of beam and detector parameters for pinkIndexerThomas White
2019-09-12bug fix: asking for detector distance != 0 instad of beamBandwidth != 0Yaroslav Gevorkov
2019-09-12pinkIndexer: Remove debugging messagesThomas White
2019-09-12Accept --indexing=pinkindexer (lower case)Thomas White
2019-09-12Set task name for PinkIndexerThomas White
2019-09-12Add GPL boilerplateThomas White
2019-09-12WhitespaceThomas 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
2019-09-10sort_peaks(): Handle NULL peak listThomas White
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
2019-09-05Allow the polarsation correction to be completely disabledThomas White
2019-09-03Fix memory leaks in cell comparisonThomas White
2019-09-03get_detector_geometry_from_string: Fix memory leaksThomas 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.
2019-08-29Fix 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
2019-08-28Merge 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
2019-08-28Avoid converting IntegerMatrix to RationalMatrixThomas 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
2019-08-22Remove match_cell and match_cell_abThomas White
2019-08-22Fix matrix multiplicationThomas White
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