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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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src
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cell.c
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2012-02-22
It's not.
Thomas White
2012-02-22
Disallow e.g. "1 1 0" when comparing cells
Thomas White
2012-02-22
PR gradient check
Thomas White
2012-02-22
Use vector types in match_cell_ab(), and correct left handed cells
Thomas White
2012-02-22
Add partial matching (against 'a' and 'b' only)
Thomas White
2012-02-22
Rename cell_new_from_axes() to avoid confusion
Thomas White
2012-02-22
cell_new_from_cell() should preserve orientation
Thomas White
2012-02-22
Fix --cell-reduction=compare
Thomas White
It must be allowed to add zero multiples of an axis length, otherwise the best it can do is a*+b*+c*, or a*+b*-c* etc.
2012-02-22
Ensure all parts of cell are set by cell_rotate()
Thomas White
2012-02-22
Update docs
Thomas White
2012-02-22
indexamajig: Reduce verbosity a lot
Thomas White
2012-02-22
Fussiness
Thomas White
2012-02-22
Introduce 'geomatic'
Thomas White
2012-02-22
Remove "Matching with this cell" output in --verbose
Thomas White
2012-02-22
Don't get greedy in cell_new_from_cell()
Thomas White
2012-02-22
Fix many small memory leaks
Thomas White
2012-02-22
Don't duplicate symbols with GSL fudge
Thomas White
2012-02-22
Add an option to fudge CBLAS if necessary
Thomas White
2012-02-22
Read fixed-width fields properly in load_cell_from_pdb()
Thomas White
2012-02-22
Show point group in cell_print()
Thomas White
2012-02-22
Recurse into 'lib' first; Update makefiles
Thomas White
2012-02-22
added spacegroup to cell info
Richard Kirian
2012-02-22
Check length of CRYST1 line
Thomas White
2012-02-22
Zap quats
Thomas White
The "orientation" quaternion should not rotate the Ewald sphere, but the crystal. This cleans things up a little, removing "orientation" from "struct image".
2012-02-22
Add more symmetries, update docs about cell settings
Thomas White
2012-02-22
Add P 43 21 2
Thomas White
2012-02-22
Improve cell comparison
Thomas White
2012-02-22
indexamajig: Add other cell reduction possibilities, and remove --no-match
Thomas White
2012-02-22
Space group has a maximum of 10 characters
Thomas White
2012-02-22
Matched cell must also be right-handed!
Thomas White
2012-02-22
Don't free cell if it's NULL
Thomas White
2012-02-22
Fix unit cell point group memory leak
Thomas White
2012-02-22
Add P 21 21 21
Thomas White
2012-02-22
Move -D_GNU_SOURCE to a better place
Thomas White
2012-02-22
Remove extraneous calculations and show cell representation in cell_print()
Thomas White
2012-02-22
Generation of templates (needs debugging)
Thomas White
2012-02-22
Read symmetry from PDB and store in unit cell structure
Thomas White
2012-02-22
facetron: Add pre-refinement
Thomas White
2012-02-22
Add facetron program for profile fitting and post-refinement
Thomas White
2012-02-22
Fussiness
Thomas White
2012-02-22
Rework UnitCell so it doesn't lose the orientation of the unit cell
Thomas White
2012-02-22
Make UnitCell opaque
Thomas White
2010-04-16
Tidy up, DS9K compatibility
Thomas White
2010-04-01
Fix a couple of memory bugs
Thomas White
2010-04-01
Check lots of GSL error codes
Thomas White
2010-03-31
Catch failure to open PDB in load_cell_from_pdb()
Thomas White
2010-03-26
Don't try to render PDBs, part II: remove "molecule" from "struct image".
Thomas White
2010-03-18
indexamajig: Tighten up angle tolerance
Thomas White
2010-03-17
Fix various memory leaks and tidy a few things
Thomas White
2010-03-16
Fixes for standards compliance
Thomas White
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