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AgeCommit message (Expand)Author
2009-11-25Proper water intensity calculationThomas White
2009-11-25Progress bar improvements and tidy-upThomas White
2009-11-24Display useful numbersThomas White
2009-11-24Correct help message...Thomas White
2009-11-24Tidy up, fix thingsThomas White
2009-11-24CommentsThomas White
2009-11-24We ARE interested in the central beamThomas White
2009-11-24Only bloom if requiredThomas White
2009-11-24WhitespaceThomas White
2009-11-24Add H.nffThomas White
2009-11-24Only calculate molecular transform at Bragg positionsThomas White
2009-11-24Preparation for new water simulationThomas White
2009-11-23Centre the molecule before calculating structure factorsThomas White
2009-11-23WhitespaceThomas White
2009-11-20Tidy upThomas White
2009-11-20Clarify lattice transform calculationThomas White
2009-11-20Experimental valuesThomas White
2009-11-20Clearer solid angle calculationThomas White
2009-11-20WhitespaceThomas White
2009-11-2032x32x32 unit cellsThomas White
2009-11-20Tidy up and fixThomas White
2009-11-19WhitespaceThomas White
2009-11-19Add rotation based on quaternionsThomas White
2009-11-19Add explicit casts when converting typesThomas White
2009-11-19Apply DQEThomas White
2009-11-19Make molecular transform workThomas White
2009-11-19Tidy up floating-point precisionThomas White
2009-11-19Nicer species table layoutThomas White
2009-11-19Progress bar improvementsThomas White
2009-11-19Correct water calculationThomas White
2009-11-19Misc tidy-upThomas White
2009-11-18Move zero-terminator to the right positionThomas White
2009-11-18Add water calculationThomas White
2009-11-18Add progress barThomas White
2009-11-18WhitespaceThomas White
2009-11-18Bloom simulationThomas White
2009-11-18Initial work on bloomThomas White
2009-11-17Add memoization to scattering factor calculationThomas White
2009-11-17Move load_molecule to sfacThomas White
2009-11-17Fix comment (trivial)Thomas White
2009-11-17Move scattering factor stuff to new fileThomas White
2009-11-17Add WaasKirf lookupThomas White
2009-11-17Tidy up (makes icc happier)Thomas White
2009-11-17Add scattering factor tablesThomas White
2009-11-17WhitespaceThomas White
2009-11-17Add Henke table lookupThomas White
2009-11-17Assume -lhdf5 if not told otherwiseThomas White
2009-11-17Work in progressThomas White
2009-11-16PDB parserThomas White
2009-11-13Split f_lattice outThomas White
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