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AgeCommit message (Expand)Author
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
2009-11-13Solid angle stuffThomas White
2009-11-13No need to store the "phactors"Thomas White
2009-11-13Remove message (happy that this works)Thomas White
2009-11-13Work in progress on photon correctnessThomas White
2009-11-12Add 'detector' moduleThomas White
2009-11-12Loads of lattice stuffThomas White
2009-11-12Update .gitignoreThomas White
2009-11-12Sort out libraries and cflagsThomas White
2009-10-23Restructuring ready for new simulation methodThomas White
2009-10-23Initial fork from template_index to pattern_simThomas White
2009-10-16Generate a series of imagesThomas White
2009-10-16The image list in sim-main.c is not neededThomas White
2009-10-16Neaten the output up a bitThomas White
2009-10-16try_template() is not for external useThomas White
2009-10-16Remove unnecessary debugging outputThomas White
2009-10-16Perform the indexing, and testThomas White
2009-10-16Read image and generate templatesThomas White
2009-10-16Make the maximum excitation error a parameter to get_reflectionsThomas White
2009-10-16Remove a messageThomas White
2009-10-16Skip reflections with |g| too highThomas White
2009-10-16New image parametersThomas White
2009-10-16Use more reflections in relrod calculationThomas White
2009-10-16More sensible maximum excitation errorThomas White
2009-10-16Overwrite old file if presentThomas White
2009-10-16Fix relrod calculationThomas White
2009-10-14Tidy up comments, and add PS1 lattice parametersThomas White
2009-10-14Don't list reflections during calculationThomas White
2009-10-14Neaten output of reciprocal unit cellThomas White
2009-10-14Write an HDF5 fileThomas White
2009-10-14Calculate reflections using reciprocal cellThomas White
2009-10-14Tidy up structure definitionsThomas White
2009-10-14Get the lattice parameters into relrod.cThomas White
2009-10-13Image, feature and unit cell infrastructureThomas White
2009-10-12Add autogen.shThomas White
2009-10-12Initial import of template_indexThomas White
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