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path: root/src/pattern_sim.c
AgeCommit message (Expand)Author
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 unava...Thomas White
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
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
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 t...Thomas White
2010-02-19Push particle size display up to top levelThomas White
2010-02-17Fix obvious mapping bugsThomas White
2010-02-17Remove fmode stuffThomas White
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
2010-02-08Stop after the right number (fix iteration counting again)Thomas White
2010-02-08Rework multisampling (remove Ewald module)Thomas White
2010-02-05Add (slow) bandwidth and multisamplingThomas White
2010-02-05Fix counting againThomas White
2010-02-05Fix counting of simulated images so that it worksThomas White
2010-02-05Add --no-sfac option for ignoring structure factorsThomas White
2010-02-04Improved framework for detector geometryThomas White
2010-02-02Match the unit cell to a model cell after indexingThomas White
2010-01-22Remove 'xray_energy' to leave a single point of truth for wavelengthThomas White
2010-01-15Update copyright datesThomas White
2010-01-15File handling fixesThomas White
2010-01-06Update simulation detailsThomas 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
2009-12-04Fix referenceThomas White
2009-12-04Display orientationThomas White
2009-12-04Add --no-bloom optionThomas White
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