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path: root/src/post-refinement.c
AgeCommit message (Expand)Author
2021-03-05Mass update of copyright dates in source code commentsThomas White
2021-01-11UnitCell: Store all representations once they're calculatedThomas White
2020-07-30Eliminate duplicate symbolsThomas White
2020-07-29Port indexamajig to new API, part IThomas White
2020-01-10Mass update of copyright datesThomas White
2019-07-30Spectrum: Define Gaussian using area, not heightThomas White
2019-07-17partialator: Allow refinement of any partiality modelThomas White
2019-07-17Don't repeat scaling when refiningThomas White
2019-07-17partialator: Use Spectrum APIThomas White
2019-07-17Comment out debugThomas White
2019-07-17Really Simple MinimiserThomas White
2019-07-17Fix grid scan boundaries to put plot-pr-contourmap's red dot in the right placeThomas White
2019-07-17Improve column headings in logsThomas White
2019-07-17Don't re-scale when calculating FoM during PRThomas White
2019-07-17partialator: WIP on new minimiserThomas White
2019-07-17partialator: Only strong reflections in specgraph, and remove resolution limi...Thomas White
2019-07-17Allow correct_reflection() to correct anything, not just intensitiesThomas White
2019-06-21partialator: Be more verbose about minimisation failuresThomas White
2019-06-19Add missing newlineThomas White
2019-03-01partialator: Fix two small memory leaksThomas White
2019-03-01partialator: Check for failed minimiser setup in write_grid()Thomas White
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
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