From e864e23e3ec315d5969281c51f24521cde30792a Mon Sep 17 00:00:00 2001 From: Sebastiano Tronto Date: Fri, 12 Nov 2021 19:59:18 +0100 Subject: I tried to remove the dependence on antindex in order to get rid of them once and for all. I successfully removed from the pruning table generation part by using an alternative (slower) method, but then I realized that I also use antindexes when generating symmetry data. So I reverted to the original pruning table computation method, but I left the alternative way there, commented. --- src/symcoord.c | 9 +++++++++ 1 file changed, 9 insertions(+) (limited to 'src/symcoord.c') diff --git a/src/symcoord.c b/src/symcoord.c index 97a8d9a..e9374d7 100644 --- a/src/symcoord.c +++ b/src/symcoord.c @@ -257,7 +257,16 @@ gensym(SymData *sd) for (i = 0; i < sd->coord->max; i++) { if (sd->class[i] == sd->coord->max + 1) { + + /* + * TODO: this is the only unavoidable use of + * antindexes. I also use them in genptable() (see + * pruning.c), but there I can do without (see + * commented functions in that file. + * Removing this would allow for a great simplification + */ c = sd->coord->cube(i); + sd->rep[nreps] = c; for (j = 0; j < sd->ntrans; j++) { d = apply_trans(sd->trans[j], c); -- cgit v1.3