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path: root/src/indexamajig.c
AgeCommit message (Expand)Author
2010-03-31indexamajig: Add --prefix optionThomas White
2010-03-31indexamajig: Add --pdb optionThomas White
2010-03-29When measuring intensities, use nearby detected peak if presentThomas 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
2010-03-18indexamajig: Clarify behaviour of intensity extractionThomas White
2010-03-18Perform intensity extraction on the image as it was before noise filteringThomas White
2010-03-18indexamajig: Alter formatting of help messageThomas White
2010-03-18Separate CM subtraction and noise filterThomas White
2010-03-17Fix various memory leaks and tidy a few thingsThomas White
2010-03-10Make alternate CCD configuration optionalThomas White
2010-03-10Improve and debug simulation cellThomas White
2010-03-10Un-break stuffThomas White
2010-03-10Allow multiple sinc LUTsThomas White
2010-03-10Simulate with different parameters to the inputThomas White
2010-03-09indexamajig: Tidy up pattern simulationThomas White
2010-03-03Refuse to proceed without molecule.pdbThomas White
2010-03-03Tidy up another messageThomas White
2010-03-03Put many debug messages behind a --verbose optionThomas White
2010-03-01Use a lookup table for sinc values in GPU calculationThomas White
2010-02-26Estimated crystal size for best estimate of signal levelsThomas White
2010-02-26Fix and tidy up indexamajig --simulateThomas 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
2010-02-24'indexamajig' should use the indexed cell for simulation, not the model cellThomas White
2010-02-24Update --helpThomas White
2010-02-24indexamajig can use the GPU tooThomas White
2010-02-22Tidy some things up:Thomas White
2010-02-17WIP on per-panel detector geometryThomas White
2010-02-17Add --powder option for generating powder patterns directlyThomas White
2010-02-08Rework multisampling (remove Ewald module)Thomas White
2010-02-05Add --no-sfac option for ignoring structure factorsThomas White
2010-02-04Add --no-match option to skip the unit cell matching procedureThomas White
2010-02-04Improved framework for detector geometryThomas White
2010-02-04Add --clean-image optionThomas White
2010-02-03Count a hit only when the pattern can be indexedThomas White
2010-02-02Tidy up optionsThomas White
2010-02-02Match the unit cell to a model cell after indexingThomas White
2010-01-22Make simulation in indexamajig workThomas White
2010-01-22Zero things out earlierThomas White
2010-01-22Add --near-bragg and --simulate options to indexamajigThomas White
2010-01-20Fix the one remaining memory leakThomas White
2010-01-19Improve the operation of --dump-peaksThomas White
2010-01-19Use "fine" peak search for hit finding (it's fast enough)Thomas White
2010-01-19Call H5close() to clean things upThomas White
2010-01-19Zap more memory leaksThomas White
2010-01-18Fix lots of memory leaksThomas White
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