hexrd.material.symmetry module

hexrd.material.symmetry.GeneratePGSYM(pgsym)

@AUTHOR Saransh Singh, Lawrence Livermore National Lab, saransh1@llnl.gov @DATE 11/23/2020 SS 1.0 original @DETAIL. generate the point group symmetry given the point group symbol

hexrd.material.symmetry.GeneratePGSym(SYM_SG)

calculate the direct space point group symmetries from the space group symmetry. the direct point group symmetries are merely the space group symmetries with zero translation part. The reciprocal ones are calculated from the direct symmetries by using the metric tensors, but that is done in the unitcell class

hexrd.material.symmetry.GeneratePGSym_Laue(SYM_PG_d)

generate the laue group symmetry for the given set of point group symmetry matrices. this function just adds the inversion symmetry and goes through the group action to generate the entire laue group for the direct point point group matrices

hexrd.material.symmetry.GenerateSGSym(sgnum, setting=0)

get the generators for a space group using the generator string

hexrd.material.symmetry.GeneratorString(sgnum)

these rhombohedral space groups have a hexagonal setting with different symmetry matrices and generator strings 146: 231 148: 232 … and so on

hexrd.material.symmetry.MakeGenerators(genstr, setting)

hexrd.material.symmetry.MakeGenerators_PGSYM(pggenstr)

@AUTHOR Saransh Singh, Lawrence Livermore National Lab, saransh1@llnl.gov @DATE 11/23/2020 SS 1.0 original @DETAIL. these are the supporting routine to generate the ppint group symmetry

for any point group. this is needed for the coloring routines

hexrd.material.symmetry.SYM_fillgen(t, sgn=1)

hexrd.material.symmetry.isnew(mat, sym_mats)

hexrd.material.symmetry.latticeType(sgnum)