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CrystFEL
crystfel-0.3
crystfel-0.4
crystfel-0.5
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pascal/electrons
tom/dtempl
Data processing for serial crystallography
Thomas White
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sfac.c
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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
2010-02-05
Tidy up abort()s
Thomas White
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
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