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path: root/src/post-refinement.c
AgeCommit message (Expand)Author
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
2015-07-08Fix PR gradientsThomas White
2015-06-19Remove old code/formattingThomas White
2015-05-19partialator: Show initial and final residuals (including free)Thomas White
2015-05-19Add free residual and convergence checkThomas White
2015-05-19partialator: Add cross-validation pobs/pcalc graphThomas White
2015-05-19Fix R and div gradientsThomas White
2015-05-19Refuse to refine any crystal with fewer data points than parametersThomas White
2015-05-19Refuse all nan shiftsThomas White
2015-05-19p gradientsThomas White
2015-05-19More debugging / logarithm stuffThomas White
2015-05-19Gradients for logarithmic scalingThomas White
2015-05-19Remove debugging stuffThomas White
2015-05-19partialator: Honour --no-scaleThomas White
2015-05-19Don't choke on negative scaling factorsThomas White
2015-05-19Refine logarithmicallyThomas White
2015-05-19Pass verbosity through to pr_iterate()Thomas White
2015-05-19Debugging stuffThomas White
2015-05-19Refine B factor as wellThomas White
2015-05-19Minimise Ipart-GpIfull/L instead of Ipart-pIfull/GLThomas White
2015-05-13Debugging stuffThomas White
2015-05-13Fix guide_dev()Thomas White
2015-05-13Show shifts when being verboseThomas White
2015-05-13Refuse to make OSFs negativeThomas White
2015-05-13Change order of gradient calculationThomas White
2015-05-13Fix totally bogus convergence criterionThomas White
2015-05-13Show number of reflections used when being verboseThomas White
2015-05-13partialator: Move scaling calculation into PR properThomas White
2015-05-06Remove crystal backup stuffThomas White
2015-05-06Remove unused revert_crystal()Thomas White
2015-05-06partialator: Make the gradients indirect, for runtime choice of parameters to...Thomas White
2015-04-20Factorise dr/da part of gradient calculation for PR and predictionThomas White
2015-04-20Make panel assignments invariant during prediction- and post-refinementThomas White
2015-03-13Move solve_svd() to utilsThomas White
2014-10-14Final gradients for SCGaussianThomas White
2014-10-06WIP on SCGaussian gradientsThomas White
2014-10-02div and R gradients for SCSphereThomas 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
2014-09-25WIP on gradients for scsphereThomas White
2014-06-27Add Thin Ewald Sphere modelThomas White
2014-06-26Rationalise counting of filtered eigenvaluesThomas White
2014-06-05partialator: Use reciprocal scale factors insteadThomas White
2014-05-26partialator: Restore minimum number of observations for PRThomas White
2014-05-23Fix flagsThomas White
2014-05-23Remove old errorThomas White
2014-05-23Simplify criteria for scaling, merging and PRThomas White
2014-05-23Outlier rejection and new convergence criterion for scalingThomas White
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