Age | Commit message (Expand) | Author |
---|---|---|
2009-11-25 | Use rint() instead of nearbyint() | Thomas White |
2009-11-25 | Proper water intensity calculation | Thomas White |
2009-11-24 | Tidy up, fix things | Thomas White |
2009-11-24 | Only calculate molecular transform at Bragg positions | Thomas White |
2009-11-24 | Preparation for new water simulation | Thomas White |
2009-11-20 | Tidy up | Thomas White |
2009-11-20 | Clarify lattice transform calculation | Thomas White |
2009-11-20 | Experimental values | Thomas White |
2009-11-20 | 32x32x32 unit cells | Thomas White |
2009-11-20 | Tidy up and fix | Thomas White |
2009-11-19 | Make molecular transform work | 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 | Add water calculation | Thomas White |
2009-11-18 | Add progress bar | Thomas White |
2009-11-18 | Whitespace | 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 | Whitespace | Thomas White |
2009-11-17 | Add Henke table lookup | 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 |
2009-11-12 | Loads of lattice stuff | Thomas White |
2009-10-23 | Restructuring ready for new simulation method | Thomas White |