Age | Commit message (Expand) | Author |
---|---|---|
2010-06-03 | Configure PDB filename for get_hkl and pattern_sim | Thomas White |
2010-03-29 | get_hkl: Only *save* reflections out to a certain resolution | Thomas White |
2010-03-29 | get_hkl: Generate reflections out to a certain resolution | Thomas White |
2010-03-26 | Don't try to render PDBs, part III: tidy up and fix | Thomas White |
2010-03-25 | Improved PDB parser | Thomas White |
2010-03-17 | Fix various memory leaks and tidy a few things | Thomas White |
2010-01-15 | Update copyright dates | Thomas White |
2009-12-16 | Update boilerplate comments | Thomas White |
2009-11-24 | Tidy up, fix things | Thomas White |
2009-11-24 | Only calculate molecular transform at Bragg positions | Thomas White |
2009-11-23 | Centre the molecule before calculating structure factors | Thomas White |
2009-11-19 | Tidy up floating-point precision | Thomas White |
2009-11-17 | Move load_molecule to sfac | Thomas White |
2009-11-17 | Move scattering factor stuff to new file | Thomas White |