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AgeCommit message (Collapse)Author
2012-02-22Tighter symmetry checkThomas White
2012-02-22Use symmetry when simulating on the GPUThomas White
2012-02-22Use symmetry when simulating (on the CPU only)Thomas White
2012-02-22pattern_sim: Check validity of numbers passed on command lineThomas White
2012-02-22pattern_sim: Add --min-size and --max-size optionsThomas White
2012-02-22pattern_sim: Update --helpThomas White
2012-02-22Handle multiple GPUsThomas White
2012-02-22Zap quatsThomas White
The "orientation" quaternion should not rotate the Ewald sphere, but the crystal. This cleans things up a little, removing "orientation" from "struct image".
2012-02-22pattern_sim: Fix memory leaksThomas White
2012-02-22pattern_sim: Add --really-random optionThomas White
2012-02-22pattern_sim: FussinessThomas White
2012-02-22pattern_sim: Make random numbers really randomThomas White
2012-02-22Read beam parameters from file (where appropriate)Thomas White
2012-02-22indexamajig: Take output stream as a command line parameterThomas White
2012-02-22Single point of truth for which parameters we useThomas White
2012-02-22pattern_sim: Get image size from detector geometryThomas White
2012-02-22pattern_sim: Fix optionsThomas White
2012-02-22compare_hkl: Reject reflections with low SNRThomas White
2012-02-22Add the possibility to use a circular (instead of 'crystallographic') ↵Thomas White
integration domain
2012-02-22indexamajig: Add --no-closer-peak optionThomas White
2012-02-22Fix unit cell point group memory leakThomas White
2012-02-22Reduce the scope of "count"Thomas White
Lists of counts had pervaded every corner of CrystFEL, being used as markers for the presence of reflections. Now we have a better way of doing this, the ReflItemList, and few parts of the suite apart from process_hkl have any business knowing how many observations were made of a particular reflection.
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
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