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AgeCommit message (Expand)Author
2010-04-02FormattingThomas White
2010-04-02indexamajig: Improve --helpThomas White
2010-04-02Add HDF5 group cleanupThomas White
2010-04-02Use per-thread xfel.drx filesThomas White
2010-04-02Don't choke on DirAx cell output which lacks spacesThomas White
2010-04-01Tidy up a bit of HDF5 resource handlingThomas White
2010-04-01indexamajig: Check that -j argument isn't greater than MAX_THREADSThomas White
2010-04-01indexamajig: Improve --helpThomas White
2010-04-01indexamajig: Clarify default value for -jThomas White
2010-04-01indexamajig: Protect GPU context with mutexThomas White
2010-04-01indexmajig: Protect stdout output with a mutexThomas White
2010-04-01indexamajig: Threading fixesThomas White
2010-04-01Fix a couple of memory bugsThomas White
2010-04-01indexamajig: Introduce multithreadingThomas White
2010-04-01indexamajig: Move pattern processing to a separate functionThomas White
2010-04-01Check lots of GSL error codesThomas White
2010-03-31Clarify scattering factors (though I'm still not sure..)Thomas White
2010-03-31Re-integrate peak from early peak detection, instead of using old intensityThomas White
2010-03-31indexamajig: Add --prefix optionThomas White
2010-03-31indexamajig: Add --pdb optionThomas White
2010-03-31Catch failure to open PDB in load_cell_from_pdb()Thomas White
2010-03-30Handle Debye-Waller factors correctlyThomas White
2010-03-30get_hkl: Blank out 000 beamThomas White
2010-03-30get_hkl: Read intensities from file if requestedThomas White
2010-03-29compare_hkl: Display R-factorThomas White
2010-03-29compare_hkl: Allow no -o parameterThomas White
2010-03-29integrate_peak(): Handle the situation where there is no intensityThomas White
2010-03-29get_hkl: Only *save* reflections out to a certain resolutionThomas White
2010-03-29When measuring intensities, use nearby detected peak if presentThomas White
2010-03-29get_hkl: Generate reflections out to a certain resolutionThomas White
2010-03-29Remove "rflist"Thomas White
2010-03-29Remove bounds check - this is handled by integrate_peak()Thomas White
2010-03-28Use integrate_peak() instead of sum_nearby_points()Thomas White
2010-03-28Remove image_fom()Thomas 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
2010-03-27Fix reading of reflection listsThomas White
2010-03-26Add Ca.nff and P.nffThomas 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
2010-03-26Uncomment species listThomas White
2010-03-26Update wavelength -> 1790 eVThomas White
2010-03-25Handle "ATOM" and "HETATM" in PDBsThomas White
2010-03-25get_hkl: Update help messageThomas White
2010-03-25Improved PDB parserThomas White
2010-03-25Fix twinning (take account of space group symmetry)Thomas White
2010-03-20get_hkl: Rationalise and make it work properlyThomas White
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