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AgeCommit message (Expand)Author
2018-02-27Increase resolution of grid scanThomas White
2018-02-27Add indices to spectrum graphThomas White
2018-02-27Take modulus of profile radiusThomas White
2018-02-27Add units to grid scan axesThomas White
2018-02-27Don't write logs if --no-prThomas White
2018-02-27Reduce granularity of grid scansThomas White
2018-02-27Save multiple grid mapsThomas White
2018-02-27Trap lambda<0Thomas White
2018-02-27Add Ipart values to pgraphThomas White
2018-02-27Write spectra and grid scans after every iteration, and also before the first...Thomas White
2018-02-27Tidy up and fixThomas White
2018-02-27Write spectrum graph at end againThomas White
2018-02-27write_gridscan(): Use own minimiserThomas White
2018-02-27write_gridscan(): Handle cycle=-1Thomas White
2018-02-27Split out setup of minimiserThomas White
2018-02-27Split out grid scanThomas White
2018-02-27Move specgraph stuff to post-refinement.cThomas White
2018-02-27Write logs for every twentieth crystalThomas White
2018-02-27See if pattern fits better in other orientationThomas White
2018-02-27Add grid search outputThomas White
2018-02-27Create a new UnitCell when rotating the crystalThomas White
2018-02-27Create a separate image structure for each imageThomas White
2018-02-27Stop if GSL gives us NAN residualThomas White
2018-02-27Write log files of numbers per simplex iterationThomas White
2018-02-27Reduce verbosityThomas White
2018-02-27Mark crystals as bad if they don't scale properlyThomas White
2018-02-27Use "iteration F" in logsThomas White
2018-02-27Combine pgraph and specgraph into one file for all iterationsThomas White
2018-02-27Adjust angle step sizeThomas White
2018-02-27Add some extra messagesThomas White
2018-02-27Tidy upThomas White
2018-02-27Reduce the weight on reflections if they have to be scaled upThomas White
2018-02-27partialator: Stop if reference reflection list can't be loadedThomas White
2018-02-27Weight reflections by partiality in residualThomas White
2018-02-27Verbosity adjustmentsThomas White
2018-02-27Restore redundancy checkThomas White
2018-02-27Use GSL_NAN instead of infinity to indicate failed function evaluationThomas White
2018-02-27Pass serial number and verbosity level downThomas White
2018-02-27New rejection criteriaThomas White
2018-02-27Don't complain loudly about scaling failures during refinementThomas White
2018-02-27Show the list of reflections if scaling gives NAN (only if the list is short)Thomas White
2018-02-27More reflection criteriaThomas White
2018-02-27Iterate over the subject list, not the referenceThomas White
2018-02-27More information about dropped reflections in scalingThomas White
2018-02-27Switch to simpler scaling algorithmThomas White
2018-02-27Fix scaling factor in residual()Thomas White
2018-02-27Fix constThomas White
2018-02-27Don't scale when told not toThomas White
2018-02-27Scaling fixesThomas White
2018-02-27const-cleanliness (and a bit of error checking)Thomas White