aboutsummaryrefslogtreecommitdiff
path: root/src/diffraction.c
AgeCommit message (Collapse)Author
2010-05-28Remove unnecessary stuffThomas White
2010-05-28Fix WEIRD Valgrind warningsThomas White
2010-05-06Implement GRADIENT_MOSAIC and GRADIENT_INTERPOLATEThomas White
2010-05-04pattern_sim: Switchable gradient methodsThomas White
2010-04-01indexamajig: Introduce multithreadingThomas White
2010-03-27Allow molecule_factor() to tell when it doesn't know the intensityThomas White
2010-03-26Switch bandwidth off for nowThomas White
2010-03-26Don't try to render PDBs, part III: tidy up and fixThomas White
2010-03-26Don't try to render PDBs, part II: remove "molecule" from "struct image".Thomas White
2010-03-26Don't try to render PDBs, part IThomas White
2010-02-26Water intensity should be be counted only once overall per pixelThomas White
2010-02-26Move water calculation to diffraction.c, and work out the consequencesThomas White
2010-02-22Add find_panel() routine to clean up a lot of thingsThomas White
2010-02-20Fix get_q, which was distorting reciprocal space previouslyThomas White
2010-02-19Add bandwidth to GPU calculationThomas White
Also: alter CPU version to be cleaner and give exactly the same results at GPU, and fix an indexing bug
2010-02-19Add finite sampling for better simulation accuracyThomas White
2010-02-19Push particle size display up to top levelThomas White
2010-02-17WIP on per-panel detector geometryThomas White
2010-02-17Use OpenCL for much faster diffraction calculationThomas White
2010-02-09Weight bandwidth samples properlyThomas White
2010-02-08Add bandwidth calculationThomas White
2010-02-08Don't forget to rotate the q vectors!Thomas White
2010-02-08Rework multisampling (remove Ewald module)Thomas White
2010-02-05Fix obvious problemsThomas White
2010-02-05Add (slow) bandwidth and multisamplingThomas White
2010-02-05Add --no-sfac option for ignoring structure factorsThomas White
2010-02-02Match the unit cell to a model cell after indexingThomas White
2010-01-22Make simulation in indexamajig workThomas White
2010-01-22Add --near-bragg and --simulate options to indexamajigThomas White
2010-01-22Remove 'xray_energy' to leave a single point of truth for wavelengthThomas White
2010-01-15Update copyright datesThomas White
2010-01-14s/threevec/rvec/Thomas White
2009-12-16Update boilerplate commentsThomas White
2009-12-13Display particle size in nmThomas White
2009-12-07Random particle sizesThomas White
2009-12-07Typo in help messageThomas White
2009-11-27Slightly better water calculationThomas White
2009-11-26More moving around of constantsThomas White
2009-11-26Move constants aroundThomas White
2009-11-25Improve progress barThomas White
2009-11-25Water fixesThomas White
2009-11-25Introduce integr_simThomas White
2009-11-25Tidy upThomas White
2009-11-25Use rint() instead of nearbyint()Thomas White
There's no difference as far as we're concerned
2009-11-25Proper water intensity calculationThomas White
Intensity is calculated at the detector stage now
2009-11-24Tidy up, fix thingsThomas White
2009-11-24Only calculate molecular transform at Bragg positionsThomas White
2009-11-24Preparation for new water simulationThomas White
2009-11-20Tidy upThomas White
Doesn't really change anything..
2009-11-20Clarify lattice transform calculationThomas White
generated by cgit v1.2.3 (git 2.25.1) at 2024-11-05 17:44:54 +0000