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path: root/src/diffraction.c
AgeCommit message (Expand)Author
2010-02-08Don't forget to rotate the q vectors!Thomas White
2010-02-08Rework multisampling (remove Ewald module)Thomas White
2010-02-05Fix obvious problemsThomas White
2010-02-05Add (slow) bandwidth and multisamplingThomas White
2010-02-05Add --no-sfac option for ignoring structure factorsThomas White
2010-02-02Match the unit cell to a model cell after indexingThomas White
2010-01-22Make simulation in indexamajig workThomas White
2010-01-22Add --near-bragg and --simulate options to indexamajigThomas White
2010-01-22Remove 'xray_energy' to leave a single point of truth for wavelengthThomas White
2010-01-15Update copyright datesThomas White
2010-01-14s/threevec/rvec/Thomas White
2009-12-16Update boilerplate commentsThomas White
2009-12-13Display particle size in nmThomas White
2009-12-07Random particle sizesThomas White
2009-12-07Typo in help messageThomas White
2009-11-27Slightly better water calculationThomas White
2009-11-26More moving around of constantsThomas White
2009-11-26Move constants aroundThomas White
2009-11-25Improve progress barThomas White
2009-11-25Water fixesThomas White
2009-11-25Introduce integr_simThomas White
2009-11-25Tidy upThomas White
2009-11-25Use rint() instead of nearbyint()Thomas White
2009-11-25Proper water intensity calculationThomas White
2009-11-24Tidy up, fix thingsThomas White
2009-11-24Only calculate molecular transform at Bragg positionsThomas White
2009-11-24Preparation for new water simulationThomas White
2009-11-20Tidy upThomas White
2009-11-20Clarify lattice transform calculationThomas White
2009-11-20Experimental valuesThomas White
2009-11-2032x32x32 unit cellsThomas White
2009-11-20Tidy up and fixThomas White
2009-11-19Make molecular transform workThomas White
2009-11-19Progress bar improvementsThomas White
2009-11-19Correct water calculationThomas White
2009-11-19Misc tidy-upThomas White
2009-11-18Add water calculationThomas White
2009-11-18Add progress barThomas White
2009-11-18WhitespaceThomas 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
2009-11-17WhitespaceThomas White
2009-11-17Add Henke table lookupThomas White
2009-11-17Work in progressThomas White
2009-11-16PDB parserThomas White
2009-11-13Split f_lattice outThomas White
2009-11-12Loads of lattice stuffThomas White
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