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path: root/src/post-refinement.h
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2021-03-05Mass update of copyright dates in source code commentsThomas White
2020-01-10Mass update of copyright datesThomas White
2019-07-17partialator: Allow refinement of any partiality modelThomas White
2019-07-17partialator: WIP on new minimiserThomas White
2018-09-07s/PRFLAG_CC/PRFLAG_DELTACCHALF/Thomas White
2018-05-07Move residual() and log_residual() to merge.cThomas White
2018-05-07Preparation for adjusting B factor during post-refinementThomas White
Add --no-Bscale option to partialator, and pass down as far as needed residual() no longer does scaling: call scale_one_crystal() first if necessary scale_one() replaces old linear_scale() function to scale a pair of RefLists (but so far does the same as the old function)
2018-05-07Remove unused parameterThomas White
2018-02-27Write logs for test programThomas White
2018-02-27partialator: Add -w and --operator optionsThomas White
2018-02-27partialator: Tidy up old log files, and add --no-logsThomas White
2018-02-27Write spectrum graph at end againThomas White
2018-02-27Write log files of numbers per simplex iterationThomas White
2018-02-27Mark crystals as bad if they don't scale properlyThomas White
2018-02-27Pass serial number and verbosity level downThomas White
2018-02-27Don't complain loudly about scaling failures during refinementThomas White
As long as it doesn't end up somewhere bad, it can probe where it likes.
2015-11-18partialator: Scale (strictly) using strong reflections onlyThomas White
2015-09-25partialator: Rationalise residual calculation and displayThomas White
2015-09-24Reject big B factors before trying PRThomas White
2015-09-07partialator: Clarity about log vs non-log residualsThomas White
2015-08-01partialator: Rationalise rejection diagnosticsThomas White
2015-07-21partialator: Tidy up handling of bad crystalsThomas White
2015-07-17partialator: Add --no-prThomas White
2015-07-17Move post refinement multiprocessing stuff to post-refinement.cThomas White
2015-05-19partialator: Show initial and final residuals (including free)Thomas White
2015-05-13partialator: Move scaling calculation into PR properThomas White
2015-04-20Factorise dr/da part of gradient calculation for PR and predictionThomas White
2014-09-30Cell vector gradients for SCSphere, plus general rationalisationThomas White
2014-09-25Remove "sphere", "thin" and "gaussian" partiality models, add "scgaussian"Thomas White
2014-06-26Rationalise counting of filtered eigenvaluesThomas White
2014-05-23Refine radiusThomas White
2014-02-27Fix compilation when one or more of Cairo, Pango or PangoCairo are missingThomas White
scaling-report.h mustn't be included by two .c files compiled into the same binary
2013-09-13Debugging/verbosity tweaksThomas White
2013-09-13partialator: Debugging stuffThomas White
2013-08-01Count filtered eigenvaluesThomas White
2013-08-01Add test for gradient of Lorentz factor (as well as partiality)Thomas White
2013-07-31Refine divergence as wellThomas White
2013-07-31Revert refinement step if too many reflections are lostThomas White
2013-07-25partialator: Account for Lorentz factorThomas White
2013-04-17Add the possibility to have different partiality modelsThomas White
2013-02-06StuffThomas White
2013-02-06Stuff for partialatorThomas White
2013-02-05WIP on updating partialatorThomas White
2012-03-12Update copyright notices to show actual contribution yearsThomas White
2012-03-09Update licence notices in line with recommendations from TTThomas White
2012-02-22GPLv3 boilerplate commentsThomas White
2012-02-22Fix the choice of "guiding" reflections for PRThomas White
2012-02-22Test everythingThomas White
2012-02-22Evil nasty testingThomas White
2012-02-22PR gradient checkThomas White
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