added reserved axial symmetry of 0 to *.qxtal hdf5 file for icosahedral QCs. This allows indexing of QCs with minimum change in code. Updated the GetPoints subroutine in ECPmod to set pgnum=33 for iQCs.
Added exponential map (ex) as another rotation representation. All conversion routines ex2yy and yy2ex in single and double precision and all tests in MODROtationsTest. Compilation and testing done on OSX.
marcdegraef
commented
4 years ago
added reserved axial symmetry of 0 to *.qxtal hdf5 file for icosahedral QCs. This allows indexing of QCs with minimum change in code. Updated the GetPoints subroutine in ECPmod to set pgnum=33 for iQCs.
Added exponential map (ex) as another rotation representation. All conversion routines ex2yy and yy2ex in single and double precision and all tests in MODROtationsTest. Compilation and testing done on OSX.