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Symmetrization for 2d crystals

Open nikhilbiyani opened this issue 8 years ago • 0 comments

I just noticed two different versions of symmetrization table. The C++ code which symmetrizes the 3D volume searches for much less symmetric spots compared to those listed in 2dx_sym2spcgrp_sub.com script.

The two tables can be found in following files: kernel/proc/2dx_sym2spcgrp_sub.com (line 295) kernel/mrc/source/2dx_volume_processing/lib/symmetrization/symmetry_operations.hpp

The other problem with the C++ table is that it does not conside _a/_b symmetries. This can be really hazardous. We need to check the correct symmetric spots.

nikhilbiyani avatar Dec 10 '15 16:12 nikhilbiyani