aboutsummaryrefslogtreecommitdiff
path: root/src/post-refinement.c
AgeCommit message (Expand)Author
2019-03-01partialator: Fix string overruns in write_grid()Thomas White
2019-01-29Fix some compiler warnings about string handlingThomas White
2019-01-28partialator: Display error message if minimiser can't be set upThomas White
2019-01-28partialator: Catch failure to set up post-refinement minimiserThomas White
2019-01-28partialator: Fix multiple memory leaksThomas White
2018-12-04partialator: Fix leaked file handleThomas White
2018-11-30Factorise correction of intensity for G, B, p and LThomas White
2018-09-07s/PRFLAG_CC/PRFLAG_DELTACCHALF/Thomas White
2018-08-30Initial delta CC half stuffThomas White
2018-05-07Add SCALE_VERBOSE_ERRORSThomas White
2018-05-07Move residual() and log_residual() to merge.cThomas White
2018-05-07Preparation for adjusting B factor during post-refinementThomas White
2018-05-07Remove unused parameterThomas White
2018-03-02Don't calculate pobs if reference reflection is weakThomas White
2018-02-27Write logs for test programThomas White
2018-02-27Add --force-bandwidth and --force-radiusThomas White
2018-02-27Add current value to grid plotsThomas White
2018-02-27Trap very large profile radius valuesThomas White
2018-02-27partialator: Add -w and --operator optionsThomas White
2018-02-27partialator: Tidy up old log files, and add --no-logsThomas White
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
2018-02-27Reduce granularity of grid scansThomas White
2018-02-27Save multiple grid mapsThomas White
2018-02-27Trap lambda<0Thomas 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
2018-02-27Stop 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
2018-02-27Adjust angle step sizeThomas 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
2018-02-27Don't complain loudly about scaling failures during refinementThomas White