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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 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
2019-08-22Final implementation of Niggli-based cell comparisonThomas White
2019-08-22Tidy up comparison function definitionsThomas White
Especially, remove the last ltl/atl tolerance values.
2019-08-22Clean up / debugThomas White
2019-08-22Determine cell reduction tolerance automaticallyThomas White
2019-08-22Working Niggli reductionThomas White
2019-08-22Add cell_get_G6() and corresponding structureThomas White
2019-08-22Framework for new unit cell comparison functionThomas White
2019-08-22G6 cell reductionThomas White
Doesn't work yet
2019-08-16g6_distance: Take UnitCellThomas White
2019-08-16compare_permuted_cell_parameters{_and_orientation}: Accept wrong-handed cellThomas White
2019-08-16Add intmat_zeroThomas White
2019-08-16Clarify cell vs reference in comparison functions. Also reindexed vs permutedThomas White
2019-08-16Add rtnl_mtx_is_identity() and rtnl_mtx_is_perm()Thomas White
2019-08-16Use new cell comparison functions for indexingThomas White
2019-08-16rtnl_mtx_print and intmat_print: Handle NULL matrixThomas White
2019-08-16Add compare_permuted_cell_parametersThomas White
2019-08-16compare_cell_parameters and compare_reindexed_cell_parameters: Accept 6 ↵Thomas White
tolerances
2019-08-16indexamajig: Accept six values for unit cell toleranceThomas White
2019-08-16cell_print{_full}: Handle NULL cellThomas White
2019-08-16cell_volume: Give answer in m^3, not m^3Thomas White
2019-08-16Fix typo in commentThomas White
2019-08-16rtnl_list: Accept gdc(num,den) = -1 as wellThomas White
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