Some more description of intent in symmetries.h

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Marek Nečada 2018-12-25 22:43:57 +02:00
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@ -5,9 +5,19 @@
* Here will be functions providing point group operations
* operating on translation operators and T-matrices
* as in tmatrices.py.
*
* At least I want:
* - Wigner D matrices
* - Basic mirror operations for T-matrices
* - Inversion operation for the translation matrices
*
* Maybe (much later) also point and space group irrep
* functionality as in symmetries.py.
* However, I think that the group structures can be simply
* hard-coded/generated by a python script, then there is
* no need to check the group consistency etc. at runtime.
*
*
*/
#endif // SYMMETRIES_H