Age | Commit message (Expand) | Author |
2010-04-01 | Tidy up a bit of HDF5 resource handling | Thomas White |
2010-04-01 | indexamajig: Check that -j argument isn't greater than MAX_THREADS | Thomas White |
2010-04-01 | indexamajig: Improve --help | Thomas White |
2010-04-01 | indexamajig: Clarify default value for -j | Thomas White |
2010-04-01 | indexamajig: Protect GPU context with mutex | Thomas White |
2010-04-01 | indexmajig: Protect stdout output with a mutex | Thomas White |
2010-04-01 | indexamajig: Threading fixes | Thomas White |
2010-04-01 | Fix a couple of memory bugs | Thomas White |
2010-04-01 | indexamajig: Introduce multithreading | Thomas White |
2010-04-01 | indexamajig: Move pattern processing to a separate function | Thomas White |
2010-04-01 | Check lots of GSL error codes | Thomas White |
2010-03-31 | Clarify scattering factors (though I'm still not sure..) | Thomas White |
2010-03-31 | Re-integrate peak from early peak detection, instead of using old intensity | Thomas White |
2010-03-31 | indexamajig: Add --prefix option | Thomas White |
2010-03-31 | indexamajig: Add --pdb option | Thomas White |
2010-03-31 | Catch failure to open PDB in load_cell_from_pdb() | Thomas White |
2010-03-30 | Handle Debye-Waller factors correctly | Thomas White |
2010-03-30 | get_hkl: Blank out 000 beam | Thomas White |
2010-03-30 | get_hkl: Read intensities from file if requested | Thomas White |
2010-03-29 | compare_hkl: Display R-factor | Thomas White |
2010-03-29 | compare_hkl: Allow no -o parameter | Thomas White |
2010-03-29 | integrate_peak(): Handle the situation where there is no intensity | Thomas White |
2010-03-29 | get_hkl: Only *save* reflections out to a certain resolution | Thomas White |
2010-03-29 | When measuring intensities, use nearby detected peak if present | Thomas White |
2010-03-29 | get_hkl: Generate reflections out to a certain resolution | Thomas White |
2010-03-29 | Remove "rflist" | Thomas White |
2010-03-29 | Remove bounds check - this is handled by integrate_peak() | Thomas White |
2010-03-28 | Use integrate_peak() instead of sum_nearby_points() | Thomas White |
2010-03-28 | Remove image_fom() | Thomas White |
2010-03-28 | Move contents of intensities.{c,h} to peaks.{c,h} | Thomas White |
2010-03-27 | Make it obvious, when using GPU simulation, if a required reflection is unava... | Thomas White |
2010-03-27 | Allow molecule_factor() to tell when it doesn't know the intensity | Thomas White |
2010-03-27 | Fix reading of reflection lists | Thomas White |
2010-03-26 | Add Ca.nff and P.nff | Thomas White |
2010-03-26 | Switch bandwidth off for now | Thomas White |
2010-03-26 | Don't try to render PDBs, part III: tidy up and fix | Thomas White |
2010-03-26 | Don't try to render PDBs, part II: remove "molecule" from "struct image". | Thomas White |
2010-03-26 | Don't try to render PDBs, part I | Thomas White |
2010-03-26 | Uncomment species list | Thomas White |
2010-03-26 | Update wavelength -> 1790 eV | Thomas White |
2010-03-25 | Handle "ATOM" and "HETATM" in PDBs | Thomas White |
2010-03-25 | get_hkl: Update help message | Thomas White |
2010-03-25 | Improved PDB parser | Thomas White |
2010-03-25 | Fix twinning (take account of space group symmetry) | Thomas White |
2010-03-20 | get_hkl: Rationalise and make it work properly | Thomas White |
2010-03-20 | Add scripts/wibbletron | Thomas White |
2010-03-18 | indexamajig: Tighten up angle tolerance | Thomas White |
2010-03-18 | get_hkl: Don't accidentally do a ZA pattern, add table header | Thomas White |
2010-03-18 | indexamajig: Clarify behaviour of intensity extraction | Thomas White |
2010-03-18 | Perform intensity extraction on the image as it was before noise filtering | Thomas White |