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path: root/src/hrs-scaling.c
AgeCommit message (Collapse)Author
2012-02-22Estimate intensities from scalable parts onlyThomas White
2012-02-22Calculate redundancies properly when scalingThomas White
2012-02-22partialator: Fail a bit more gracefully if equations can't be solvedThomas White
2012-02-22Work in progress on post refinementThomas White
2012-02-22Progress with post refinement...Thomas White
2012-02-22Work on post refinementThomas White
2012-02-22partialator: Save reflection listThomas White
2012-02-22Set matrix elements to zero if no common reflections (NB broken)Thomas White
2012-02-22Remove progress barThomas White
2012-02-22Change variable name to avoid confusionThomas White
2012-02-22Tidy up, and set intensities correctlyThomas White
2012-02-22Work on making iteration workThomas White
2012-02-22Banish "struct cpeak" foreverThomas White
2012-02-22Remove unnecessary iterationThomas White
2012-02-22Next round of refactoringsThomas White
2012-02-22Another factor of 2 or soThomas White
2012-02-22First round of scaling optimisationsThomas White
2012-02-22Move show_matrix_eqn() to utils.cThomas White
2012-02-22Don't try to use unscalable reflections for post refinementThomas White
2012-02-22Don't check the uninitialised intensity if the peak isn't validThomas White
2012-02-22Update some copyright datesThomas White
2012-02-22Solve the diagonalised equation the easy wayThomas White
2012-02-22Tidy upThomas White
2012-02-22Don't use 0.0 / 0.0 = NaNThomas White
2012-02-22DebugThomas White
2012-02-22Decide once only on which reflections are scalableThomas White
2012-02-22Remove unused variableThomas White
2012-02-22Remove scaling debugThomas White
2012-02-22This shouldn't have been commentedThomas White
2012-02-22Fix the final scaling bugThomas White
2012-02-22Make Fox & Holmes method work (nearly)Thomas White
2012-02-22Remove row-crossing stuff (doesn't work anyway) and start on eigenvalue methodThomas White
2012-02-22Fix Kabsch scaling...!Thomas White
2012-02-22Show shiftsThomas White
2012-02-22Add missing validity checkThomas White
2012-02-22Silly typo..Thomas White
2012-02-22Can't ignore the weightings completely..Thomas White
2012-02-22Fix small bugThomas White
2012-02-22Implement Kabsch methodThomas White
2012-02-22Revert "Remove row-crossing stuff since it should not be needed"Thomas White
This reverts commit a043b3cb7cd57da3f5f7feb9d470d1e771f5b664. Conflicts: src/hrs-scaling.c
2012-02-22Get normalisation rightThomas White
2012-02-22This plus sign should be a minusThomas White
2012-02-22Beginnings of Fox & Holmes methodThomas White
2012-02-22Remove row-crossing stuff since it should not be neededThomas White
2012-02-22Scaling matrix is symmetricThomas White
2012-02-22More work on scalingThomas White
2012-02-22More work on scalingThomas White
2012-02-22Add missing files from previous commitThomas White
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