diff --git a/qpms/symmetries.h b/qpms/symmetries.h new file mode 100644 index 0000000..c3bc69a --- /dev/null +++ b/qpms/symmetries.h @@ -0,0 +1,13 @@ +#ifndef SYMMETRIES_H +#define SYMMETRIES_H +/* TODO. + * + * Here will be functions providing point group operations + * operating on translation operators and T-matrices + * as in tmatrices.py. + * + * Maybe (much later) also point and space group irrep + * functionality as in symmetries.py. + */ + +#endif // SYMMETRIES_H diff --git a/qpms/symmetries.py b/qpms/symmetries.py index edd4d75..c8ccb9c 100644 --- a/qpms/symmetries.py +++ b/qpms/symmetries.py @@ -395,6 +395,8 @@ point_group_info = { # representation info of some useful point groups # permutation group generators (Permutation(0,1, size=6)(2,3), # x -> - x mirror operation (i.e. yz mirror plane) Permutation(0,3, size=6)(1,2), # y -> - y mirror operation (i.e. xz mirror plane) + # ^^^ btw, I guess that Permutation(0,1, size=6) and Permutation(2,3, size=6) would + # do exactly the same job (they should; CHECK) Permutation(4,5, size=6) # z -> - z mirror operation (i.e. xy mirror plane) ), # dictionary with irrep generators diff --git a/qpms/tmatrices.h b/qpms/tmatrices.h new file mode 100644 index 0000000..305c3e1 --- /dev/null +++ b/qpms/tmatrices.h @@ -0,0 +1,12 @@ +#ifndef TMATRICES_H +#define TMATRICES_H +/* TODO + * This file will contain declarations of functions providing + * a) Mie T-matrix for spherical particle + * i) using Drude model + * ii) using interpolated material data + * b) T-matrix from scuff-tmatrix output, using interpolation + */ + + +#endif //TMATRICES_H