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path: root/libcrystfel/src/taketwo.c
AgeCommit message (Collapse)Author
2017-07-06Remove unnecessary headers and move an includeThomas White
2017-07-06Use void pointers for indexing engine private stuffThomas White
2017-07-05Shoved a bunch of the stuff being passed from function to function into ↵cppxfel
TakeTwoCell, and shoved gsl_vector allocation into it as well to reduce alloc events
2017-07-01Adding a cutoff for maximum allowed vectors (100,000) to stop Tom's computer ↵cppxfel
(and others) falling apart again.
2017-06-30Ridiculous ASCII art to increase prominance of citationcppxfel
2017-06-30Removed unnecessary returns and set functions to void, and removed ↵cppxfel
superfluous integer declaration
2017-06-30Didn't use C99 code, fixingcppxfel
2017-06-30Yet more speed fiddlescppxfel
2017-06-30Removed some code, fixed some code, and so on and so forthcppxfel
2017-06-29WARNING - profanity - uploading to my server so I can gvalgrindcppxfel
2017-06-29Disable a check which wasn't acted upon to measure impact on speedcppxfel
2017-06-29Should not limit to proceeding vectors only when a new spot may have been ↵cppxfel
included\!
2017-06-29Relaxation of tolerancescppxfel
2017-06-19Reduced amount of gsl_matrix reallocationcppxfel
2017-06-19Changing cosine of angle to be most sensitive to 0.5 degreescppxfel
2017-06-19Add observed angle check back in...cppxfel
2017-06-19Compile error sorted and some code re-addedcppxfel
2017-06-19Theoretical speed improvements by replacing acos with comparison of cosines ↵cppxfel
for the quick check, but not necessarily good
2017-06-14More fiddlingHelen Ginn
2017-06-14Memory leak fixes and various tweaksHelen Ginn
2017-06-14Added symmetry checking - better indexing rate but something's holding back ↵Helen Ginn
a number of crystals
2017-05-18Implement get_chiral_holohedry()Thomas White
2017-05-18Small fixesThomas White
2017-05-18FormattingThomas White
2017-05-18FormattingThomas White
2017-05-18Fix uninitialised variableThomas White
2017-05-18Various fiddles to add symmetry operations but not functionalHelen Ginn
2017-03-24Now tries the shortest vectors first.Helen Ginn
2017-01-18Remove error messagesHelen Ginn
2017-01-18One image has no more leaks from taketwo.cHelen Ginn
2017-01-18Significant reduction in leakage, not done yet.Helen Ginn
2017-01-18Fixed more memory errorsHelen Ginn
2017-01-18Goodbye memory leaks!Helen Ginn
2017-01-18Fiddled with parameters, now nice for CPV17. Fixed a ton of bugs tooHelen Ginn
2017-01-17Random indentation plus faffing with parameters.Helen Ginn
2017-01-17Removed all debug messages, nice and clean.Helen Ginn
2017-01-17General beginning of tidying and removing some debug statements and return ↵Helen Ginn
best solution if they're all too rubbish to hit the threshold - not tested
2017-01-17Fiddles with parameters - more sensible nowHelen Ginn
2017-01-17Fiddle with parameter - temporaryHelen Ginn
2017-01-17Remove flip required for cppxfel coordinate systemHelen Ginn
2017-01-17Add rlp retrieval from peak list and tidy up the output to the screen a tadHelen Ginn
2017-01-17Committing all newest antics which DOES produce a decent solution for a ↵Helen Ginn
decent peak list...
2016-11-11FussinessHelen Ginn
2016-11-11Send all possible seeds through the seed-starterHelen Ginn
2016-11-11Find potential matches between observed and simulated vectors now returns a ↵Helen Ginn
list, not a single match, in preparation for being more thorough searching
2016-11-04Fixes the bug I discovered in Hamburg - closest_rot_mat needs to check whetherHelen Ginn
the theta angle is the minimum or maximum angle or whether to add Pi.
2016-10-25TEMPORARY horrible debugging stuffThomas White
2016-10-25j_idxThomas White
2016-10-25Sort the vectors according to distance, and use a larger toleranceThomas White
2016-10-24Separate tolerance for matrix traceThomas White