Age | Commit message (Collapse) | Author | |
---|---|---|---|
2009-11-24 | Tidy up, fix things | Thomas White | |
2009-11-24 | Comments | Thomas White | |
2009-11-24 | We ARE interested in the central beam | Thomas White | |
2009-11-24 | Only bloom if required | Thomas White | |
2009-11-24 | Whitespace | Thomas White | |
2009-11-24 | Add H.nff | Thomas White | |
2009-11-24 | Only calculate molecular transform at Bragg positions | Thomas White | |
2009-11-24 | Preparation for new water simulation | Thomas White | |
2009-11-23 | Centre the molecule before calculating structure factors | Thomas White | |
Also fixes an incorrect comment | |||
2009-11-23 | Whitespace | Thomas White | |
2009-11-20 | Tidy up | Thomas White | |
Doesn't really change anything.. | |||
2009-11-20 | Clarify lattice transform calculation | Thomas White | |
2009-11-20 | Experimental values | Thomas White | |
0.5 x 0.1 micron needles CAMP chamber, CCD furthest back, pnCCD 2 keV X-rays | |||
2009-11-20 | Clearer solid angle calculation | Thomas White | |
2009-11-20 | Whitespace | Thomas White | |
2009-11-20 | 32x32x32 unit cells | Thomas White | |
2009-11-20 | Tidy up and fix | Thomas White | |
2009-11-19 | Whitespace | Thomas White | |
2009-11-19 | Add rotation based on quaternions | Thomas White | |
2009-11-19 | Add explicit casts when converting types | Thomas White | |
2009-11-19 | Apply DQE | Thomas White | |
2009-11-19 | Make molecular transform work | Thomas White | |
2009-11-19 | Tidy up floating-point precision | Thomas White | |
2009-11-19 | Nicer species table layout | Thomas White | |
2009-11-19 | Progress bar improvements | Thomas White | |
2009-11-19 | Correct water calculation | Thomas White | |
2009-11-19 | Misc tidy-up | Thomas White | |
2009-11-18 | Move zero-terminator to the right position | Thomas White | |
2009-11-18 | Add water calculation | Thomas White | |
2009-11-18 | Add progress bar | Thomas White | |
2009-11-18 | Whitespace | Thomas White | |
2009-11-18 | Bloom simulation | Thomas White | |
2009-11-18 | Initial work on bloom | Thomas White | |
2009-11-17 | Add memoization to scattering factor calculation | Thomas White | |
2009-11-17 | Move load_molecule to sfac | Thomas White | |
2009-11-17 | Fix comment (trivial) | Thomas White | |
2009-11-17 | Move scattering factor stuff to new file | Thomas White | |
2009-11-17 | Add WaasKirf lookup | Thomas White | |
2009-11-17 | Tidy up (makes icc happier) | Thomas White | |
2009-11-17 | Add scattering factor tables | Thomas White | |
2009-11-17 | Whitespace | Thomas White | |
2009-11-17 | Add Henke table lookup | Thomas White | |
2009-11-17 | Assume -lhdf5 if not told otherwise | Thomas White | |
2009-11-17 | Work in progress | Thomas White | |
2009-11-16 | PDB parser | Thomas White | |
2009-11-13 | Split f_lattice out | Thomas White | |
2009-11-13 | Solid angle stuff | Thomas White | |
2009-11-13 | No need to store the "phactors" | Thomas White | |
2009-11-13 | Remove message (happy that this works) | Thomas White | |
2009-11-13 | Work in progress on photon correctness | Thomas White | |