Some "declarations of intent" for new C code.

Former-commit-id: 552279d756fc30f9138f8fc3a9fbc5f901466547
This commit is contained in:
Marek Nečada 2018-12-25 22:34:37 +02:00
parent 536301fddc
commit cee14a69e3
3 changed files with 27 additions and 0 deletions

13
qpms/symmetries.h Normal file
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#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

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@ -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

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qpms/tmatrices.h Normal file
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#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