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path: root/libcrystfel/src/geometry.c
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2024-02-06Crystals shouldn't own RefLists (part 4)Thomas White
This fixes the general prediction/partiality parts.
2024-02-06Crystal: Remove reference to image structure (part 1)Thomas White
2023-07-28Redefine ray vector without trigonometryThomas White
This makes the gradients very simple!
2023-07-28Move gradients to predict-refineThomas White
Makes sense for the _dev and _gradient functions to be in the same place.,
2023-07-28Initial re-parameterisation of prediction refinement with fs/ss coordinatesThomas White
The gradients need to be updated.
2023-07-28Fix incorrect sign of clen gradientThomas White
2021-07-21do_integral: Remove unnecessary assignmentsThomas White
These local variables were being assigned just before returning.
2021-07-21safe_khalf: Use NAN instead of 0.0/0.0Thomas White
2021-07-21Fix random_partiality()Thomas White
2021-04-27Rename libcrystfel's config.h to libcrystfel-config.hThomas White
This removes the big potential for confusion, which has happened several times (see e.g. 095cbebaf6). It also fixes in-tree builds with CMake (but seriously, always use out-of-tree builds). Fixes #2.
2021-03-23Use crystal's detector shift during predictionThomas White
Previously, this was handled by updating the detector, but this could easily lead to strange double accounting.
2021-03-05Mass update of copyright dates in source code commentsThomas White
2021-01-08locate_peak_on_panel: Check sign of 1/muThomas White
2020-09-24Fix old warning messageThomas White
2020-07-29Replace largest_q for detgeomThomas White
2020-07-29Remove more references to old detector structureThomas White
2020-07-29Convert prediction gradients to detgeomThomas White
2020-07-29Convert prediction and integration to detgeomThomas White
2020-01-10Mass update of copyright datesThomas White
2019-11-15Add partiality model GGPMWolfgang Brehm
2019-11-05bug fix in Ewald sphere width calculationYaroslav Gevorkov
2019-10-24polarisation_correction: Use symmetric indicesThomas White
2019-10-24polarisation_correction: Scale the sigma as wellThomas White
2019-09-12Fix sign of zl comparisonThomas White
2019-09-12Fix possibly uninitialised overlap_integralThomas White
Introduced by b6af09d78d49d552a05b81bd20a7854a180373f5
2019-09-05Allow the polarsation correction to be completely disabledThomas White
2019-09-02Don't need separate wavelength for polarisation correctionThomas White
Can use kpred
2019-09-02process_hkl,partialator: Allow arbitrary direction and degree of polarisationThomas White
2019-08-26Formatting/fussinessThomas White
2019-08-26loop prediction for gaussian sum spectrumWolfgang Brehm
2019-07-17partialator: Add "offset" model (Ewald sphere offset assuming monochromatic ↵Thomas White
beam)
2019-07-17partialator: Use Spectrum APIThomas White
2019-05-07Update all source code comments to Doxygen formatThomas White
2018-02-27Replace debugging code with an assert()Thomas White
2018-02-27Halve the bandwidthThomas White
2018-02-27Take modulus of profile radiusThomas White
A bit nasty, but avoids lots of NANs
2018-02-27Set integral range to +/- 3 sigmaThomas White
2018-02-27Add an assertionThomas White
2018-02-27do_integral(): Take part of the filename as input for debugThomas White
2018-02-27Horrible restraint to keep algorithm from drifting too farThomas White
2018-02-27Minimisation fixesThomas White
2018-02-27Minimisation debug stuffThomas White
2018-02-27Remove old code (and formatting)Thomas White
2018-02-27New clamping criteriaThomas White
2018-02-27Record khalf for reflectionsThomas White
2018-02-27New partiality model from Ginn et al.Thomas White
2018-02-27Separate partiality calculation from predictionThomas White
2016-12-09New polarisation correctionThomas White
2016-11-10Fix 2theta calculation in locate_peak_on_panel()Thomas White
The "improved" version of this, added by 9b1374999 along with the new spot position calculation for out-of-plane panels, actually assumes that the reflection is at the exact Bragg condition. This is not a valid assumption here. The difference is small (<0.5 px), but made the prediction refinement gradients completely wrong.
2016-07-29Use z components in predictionThomas White
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