Add support for high/low symmetry variants in tetragonal and trigonal systems #82
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The code treated all tetragonal and trigonal systems as having 6 independent elastic constants, but low-symmetry variants require different handling: tetragonal low (space groups 75-88) has 7 constants including C₁₆, while trigonal low (143-148) has different coupling patterns than high symmetry variants.
Changes
New symmetry functions:
tetragonal_high()/tetragonal_low()- Handle space groups 89-142 (6 constants) and 75-88 (7 constants with C₁₆)trigonal_high()/trigonal_low()- Handle space groups 149-167 and 143-148 (both 6 constants, different coupling)Automatic selection:
get_symmetry_function()- Uses spglib space group number to select appropriate symmetry functionget_elementary_deformations(),get_elastic_tensor(),get_cij_order()to use automatic selectionBackward compatibility:
tetragonal()andtrigonal()functions aliased to high symmetry variantsUsage
Space group ranges based on International Tables for Crystallography and verified against matscipy implementation.
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