From 7fb84d1d025b45248e2ab80b09d13d1384502e82 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Tue, 25 Dec 2018 22:43:57 +0200 Subject: [PATCH] Some more description of intent in symmetries.h Former-commit-id: c5d64a7a203e5e50d9faadf0a085e5b895cf7d78 --- qpms/symmetries.h | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/qpms/symmetries.h b/qpms/symmetries.h index c3bc69a..1b7207b 100644 --- a/qpms/symmetries.h +++ b/qpms/symmetries.h @@ -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