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AgeCommit message (Collapse)Author
2012-02-22FussinessThomas White
2012-02-22Introduce 'geomatic'Thomas White
2012-02-22Remove "Matching with this cell" output in --verboseThomas White
2012-02-22Don't get greedy in cell_new_from_cell()Thomas White
2012-02-22Fix many small memory leaksThomas White
2012-02-22Don't duplicate symbols with GSL fudgeThomas White
2012-02-22Add an option to fudge CBLAS if necessaryThomas White
2012-02-22Read fixed-width fields properly in load_cell_from_pdb()Thomas White
2012-02-22Show point group in cell_print()Thomas White
2012-02-22Recurse into 'lib' first; Update makefilesThomas White
2012-02-22added spacegroup to cell infoRichard Kirian
2012-02-22Check length of CRYST1 lineThomas White
2012-02-22Zap quatsThomas White
The "orientation" quaternion should not rotate the Ewald sphere, but the crystal. This cleans things up a little, removing "orientation" from "struct image".
2012-02-22Add more symmetries, update docs about cell settingsThomas White
2012-02-22Add P 43 21 2Thomas White
2012-02-22Improve cell comparisonThomas White
2012-02-22indexamajig: Add other cell reduction possibilities, and remove --no-matchThomas White
2012-02-22Space group has a maximum of 10 charactersThomas White
2012-02-22Matched cell must also be right-handed!Thomas White
2012-02-22Don't free cell if it's NULLThomas White
2012-02-22Fix unit cell point group memory leakThomas White
2012-02-22Add P 21 21 21Thomas White
2012-02-22Move -D_GNU_SOURCE to a better placeThomas White
2012-02-22Remove extraneous calculations and show cell representation in cell_print()Thomas White
2012-02-22Generation of templates (needs debugging)Thomas White
2012-02-22Read symmetry from PDB and store in unit cell structureThomas White
2012-02-22facetron: Add pre-refinementThomas White
2012-02-22Add facetron program for profile fitting and post-refinementThomas White
2012-02-22FussinessThomas White
2012-02-22Rework UnitCell so it doesn't lose the orientation of the unit cellThomas White
2012-02-22Make UnitCell opaqueThomas White
2010-04-16Tidy up, DS9K compatibilityThomas White
2010-04-01Fix a couple of memory bugsThomas White
2010-04-01Check lots of GSL error codesThomas White
2010-03-31Catch failure to open PDB in load_cell_from_pdb()Thomas White
2010-03-26Don't try to render PDBs, part II: remove "molecule" from "struct image".Thomas White
2010-03-18indexamajig: Tighten up angle toleranceThomas White
2010-03-17Fix various memory leaks and tidy a few thingsThomas White
2010-03-16Fixes for standards complianceThomas White
2010-03-08Fix and tidy-up the cell matchingThomas White
2010-03-08Fix a serious problem with the cartesian unit cell transformationThomas White
2010-03-08Cell matching: more tidy upThomas White
2010-03-08Choose the best fitting cell instead of the first matchThomas White
2010-03-03Comment out some more terminal noiseThomas White
2010-03-03Put many debug messages behind a --verbose optionThomas White
2010-02-22Tidy some things up:Thomas White
s convention detector geometry comments, help messages
2010-02-17Cell matching improvementsThomas White
2010-02-17Display the cell from DirAxThomas White
2010-02-04Better cell reduction debugging messagesThomas White
2010-02-03Test messages for cell matchingThomas White
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