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AgeCommit message (Collapse)Author
2012-02-22pattern_sim: Don't go looking for phases if they're not neededThomas White
This allows old reflection lists (without phases) to be used as long as you don't want phased gradients.
2012-02-22Rationalise polarization optionThomas White
2012-02-22indexamajig: Make SA correction optional (but on by default)Thomas White
2012-02-22Fix memory leaksThomas White
2010-06-11Tidy up switch statementsThomas White
2010-06-11Get detector geometry from fileThomas White
2010-06-05pattern_sim: Specify filename for powder pattern on the command lineThomas White
2010-06-05pattern_sim: Update --simulation-detailsThomas White
2010-06-05pattern_sim: Update helpThomas White
2010-06-05pattern_sim: Implement phased gradientsThomas White
2010-06-05pattern_sim: Fix uninitialised stuffThomas White
2010-06-05Fix/add exit pathsThomas White
2010-06-05Bring pattern_sim up to dateThomas White
2010-06-03Move photon energy to parameters headerThomas White
2010-06-03pattern_sim: Configurable output filenameThomas White
2010-06-03Configure PDB filename for get_hkl and pattern_simThomas White
2010-05-25Polarisation correction for extracted intensitiesThomas White
2010-05-04pattern_sim: Switchable gradient methodsThomas White
2010-04-16Push output stream mutex down, and improve output of --near-bragg and ↵Thomas White
--dump-peaks
2010-04-15pattern_sim: Fix typo in --simulation-detailsThomas White
2010-04-06Include filename in --near-bragg outputThomas White
2010-04-06pattern_sim: Add missing -i optionThomas White
2010-03-28Move contents of intensities.{c,h} to peaks.{c,h}Thomas White
2010-03-27Make it obvious, when using GPU simulation, if a required reflection is ↵Thomas White
unavailable
2010-03-27Allow molecule_factor() to tell when it doesn't know the intensityThomas 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
2010-03-26Update wavelength -> 1790 eVThomas White
2010-03-10Allow multiple sinc LUTsThomas White
2010-03-01Use a lookup table for sinc values in GPU calculationThomas White
2010-02-27New default particle sizeThomas White
2010-02-27More tests for odd situationsThomas White
2010-02-27Do powder pattern as double precision floating pointThomas White
2010-02-27Fix type conversions to avoid trouble with overflows etc.Thomas White
2010-02-26Move water calculation to diffraction.c, and work out the consequencesThomas White
2010-02-26Handle images as floats rather than int16_tThomas White
Also, remove bloom - it's not a useful model for what really happens and takes too long (this isn't a detector simulation..)
2010-02-22Fix particle size again (FIXME: make this optional at runtime)Thomas White
2010-02-22Update helpThomas White
2010-02-22Tidy some things up:Thomas White
s convention detector geometry comments, help messages
2010-02-20More logical name for powder patternThomas White
2010-02-19Fix various exciting (and otherwise) memory leaksThomas White
2010-02-19Split OpenCL initialisation into separate routing to avoid re-compiling all ↵Thomas White
the time
2010-02-19Push particle size display up to top levelThomas White
2010-02-17Fix obvious mapping bugsThomas White
2010-02-17Remove fmode stuffThomas White
Let's not pretend we can really do this.
2010-02-17WIP on per-panel detector geometryThomas White
2010-02-17One particle size (for now)Thomas White
2010-02-17Add --powder option for generating powder patterns directlyThomas White
2010-02-17Use OpenCL for much faster diffraction calculationThomas White
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