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2015-07-08Move {x,y}_gradient to geometry.hThomas White
2015-07-08Remove unnecessary calculations from prediction refinementThomas White
2015-07-07Add mask_file to geometry file, to allow bad pixel mask to be stored separatelyThomas White
2015-07-03Delete trailing whitespaceThomas White
2015-06-26Plug some more leaksThomas White
2015-06-26Fix prediction refinement memory leaksThomas White
2015-06-26Free crystal notesThomas White
2015-06-26Work round unaligned read with DirAxThomas White
Ok, just to keep Valgrind quiet.
2015-06-25Move predict-refine to libcrystfelThomas White
2015-06-25Set MOSFLM default flags to include cell parameters, and add some checksThomas White
2015-06-25Try "mosflm" first, then try "ipmosflm" if it doesn't workThomas White
This allows a smooth transition from CCP4 to standalone version of mosflm, and hence an easy upgrade to newer versions.
2015-06-25Tidy up some small leaks and memory bugsThomas White
2015-06-24WhitespaceThomas White
2015-06-19Tidy up new MOSFLM codeThomas White
2015-06-19Send prior cell information to MOSFLM.Takanori Nakane
Prior-cell algorithm will be available in the next public relase of MOSFLM. (Old version of MOSFLM simply ignores prior-cell keywords so that this change doesn't do any harm)
2015-06-19Compile asdf only if FFTW is availableThomas White
2015-06-19Remove ReAx and GrainSpotterThomas White
Neither of these ever really worked, and better algorithms exist now.
2015-06-18Small tidying up for asdfThomas White
2015-06-18Merge branch 'tolstikova/dirax'Thomas White
Conflicts: libcrystfel/src/index.h
2015-06-18Fix bug in cell refinementAlexandra Tolstikova
2015-06-18Replace semaphore with a mutexThomas White
A mutex (in a shared memory segment) is the correct synchronisation primitive here. I had confused myself...
2015-06-17Check c->n after cell reductionAlexandra Tolstikova
2015-06-17Use a POSIX semaphore for synchronising terminal access during indexingThomas White
Nice side-effect: indexamajig -j and --int-diag can now be used together
2015-06-17Fix fft in[N] array subscript calculationAlexandra Tolstikova
2015-06-16Check malloc return valuesAlexandra Tolstikova
2015-06-11Fixes to syntax of events.h header fileValerio mariani
2015-06-09match_cell(): Tidy up error handling when given a bogus lattice typeThomas White
2015-05-27Add detector_has_clen_references()Thomas White
2015-05-19Set default crystal resolution limit to infinityThomas White
Makes much more sense than zero
2015-05-19Add {get,set}_flag()Thomas White
2015-05-19Don't attempt to calculate detector position without detector structureThomas White
... even if we are updating a previous reflection
2015-05-19Set panel when reading reflections from streamThomas White
2015-05-13partialator: Move scaling calculation into PR properThomas White
2015-05-13solve_svd(): Squash NaNs after rescalingThomas White
2015-05-13solve_svd(): Filter the eigenvalues even if the result is not usedThomas White
2015-05-08Added colour scale to geoptimiser error mapsValerio mariani
2015-04-28Reject boxes with very large gradients during rings integrationThomas White
2015-04-22Free gsl_vector normal in index_refls()Alexandra Tolstikova
2015-04-20Create fftw_plan and in and out arrays for fft in asdf_prepare(), which also ↵Alexandra Tolstikova
partially solves memory leak problem
2015-04-20Add GPARAM_DETX, GPARAM_DETY and GPARAM_CLENThomas White
2015-04-20Improve error messageThomas White
2015-04-20FussinessThomas White
2015-04-20Factorise dr/da part of gradient calculation for PR and predictionThomas White
2015-04-20Throw out crystals which could not be refinedThomas White
2015-04-20Make panel assignments invariant during prediction- and post-refinementThomas White
Reflections appearing and disappearing are problematic when trying to do a least-squares refinement. Therefore, assume that reflections stay on panel and keep them under consideration even if their partialities go to zero (i.e. they drift off Bragg). This should stabilise both refinements, and simplifies quite a lot of code. Collateral "damage": the old "select_intersection()" is now gone.
2015-04-20open_stream_for_read: read stream from stdin when filename is "-".Keitaro Yamashita
2015-04-20Add INDEXING_DEBUGThomas White
2015-04-20Fix a string overflow vulnerability, and banish extract_f_from_stuff()Thomas White
2015-04-20Crystal: initialise user flagThomas White
2015-04-01Add crystal_add_notes()Thomas White