| Age | Commit message (Collapse) | Author | |
|---|---|---|---|
| 2012-02-22 | Make PDB parser less horrendous | Thomas White | |
| 2012-02-22 | Reduce the scope of "count" | Thomas White | |
| Lists of counts had pervaded every corner of CrystFEL, being used as markers for the presence of reflections. Now we have a better way of doing this, the ReflItemList, and few parts of the suite apart from process_hkl have any business knowing how many observations were made of a particular reflection. | |||
| 2010-06-05 | pattern_sim: Implement phased gradients | Thomas White | |
| 2010-06-03 | Configure PDB filename for get_hkl and pattern_sim | Thomas White | |
| 2010-03-31 | Clarify scattering factors (though I'm still not sure..) | Thomas White | |
| 2010-03-30 | Handle Debye-Waller factors correctly | 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 | |
| 2010-03-26 | Uncomment species list | Thomas White | |
| 2010-03-25 | Handle "ATOM" and "HETATM" in PDBs | Thomas White | |
| 2010-03-25 | Improved PDB parser | Thomas White | |
| 2010-03-17 | Fix various memory leaks and tidy a few things | Thomas White | |
| 2010-03-05 | Read cell from PDB | Thomas White | |
| 2010-03-03 | Remove commented code | Thomas White | |
| 2010-02-22 | Tidy some things up: | Thomas White | |
| s convention detector geometry comments, help messages | |||
| 2010-02-05 | Tidy up abort()s | Thomas White | |
| ... to avoid the special hell reserved for programmers who do this kind of thing. | |||
| 2010-02-03 | Remove many debug messages | Thomas White | |
| 2010-01-26 | Slightly more helpful warning message | Thomas White | |
| 2010-01-22 | Move scattering factors to a common location | Thomas White | |
| 2010-01-15 | Update copyright dates | Thomas White | |
| 2010-01-15 | File handling fixes | Thomas White | |
| 2009-12-16 | Update boilerplate comments | Thomas White | |
| 2009-11-27 | Macros for status and error messages | Thomas White | |
| 2009-11-26 | Remove a huge bottleneck in the scattering factor calculation | Thomas White | |
| 2009-11-26 | Whitespace | Thomas White | |
| 2009-11-25 | Improve progress bar | Thomas White | |
| 2009-11-25 | Neaten molecule shift mugwatch | Thomas White | |
| 2009-11-25 | Introduce integr_sim | Thomas White | |
| 2009-11-25 | Make Debye-Waller parameter optional | Thomas White | |
| 2009-11-25 | Whitespace | Thomas White | |
| 2009-11-25 | Make cache for f1f2 work | Thomas White | |
| 2009-11-25 | Progress bar improvements and tidy-up | Thomas White | |
| 2009-11-24 | Tidy up, fix things | Thomas White | |
| 2009-11-24 | Comments | 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 | |
| Also fixes an incorrect comment | |||
| 2009-11-23 | Whitespace | 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 | |
| 2009-11-17 | Add memoization to scattering factor calculation | Thomas White | |
| 2009-11-17 | Move load_molecule to sfac | Thomas White | |
| 2009-11-17 | Move scattering factor stuff to new file | Thomas White | |
 |
index : CrystFEL | |
| Data processing for serial crystallography | Thomas White |
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