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authorThomas White <taw@physics.org>2010-07-13 14:36:43 +0200
committerThomas White <taw@physics.org>2012-02-22 15:26:53 +0100
commit864acfc1096a75478c792289cc178e8d345fc689 (patch)
treee70066cf59196b580911c7042651ecd0323b86e4 /src/symmetry.c
parentdcdc5ea10c6525434bb2058fbc09e0159c8fcba5 (diff)
Take the union of available twin ops, not just the subgroup with the highest number
Diffstat (limited to 'src/symmetry.c')
-rw-r--r--src/symmetry.c16
1 files changed, 6 insertions, 10 deletions
diff --git a/src/symmetry.c b/src/symmetry.c
index bca06b48..055d7d60 100644
--- a/src/symmetry.c
+++ b/src/symmetry.c
@@ -311,8 +311,7 @@ static ReflItemList *coset_decomp(signed int hs, signed int ks, signed int ls,
ReflItemList *get_twins(ReflItemList *items, const char *sym)
{
int i;
- int n_twins = 1;
- ReflItemList *max_ops = NULL;
+ ReflItemList *ops = new_items();;
/* Run the coset decomposition for every reflection in the "pattern",
* and see which gives the highest number of possibilities. This
@@ -322,7 +321,7 @@ ReflItemList *get_twins(ReflItemList *items, const char *sym)
signed int h, k, l;
struct refl_item *item;
- ReflItemList *ops;
+ ReflItemList *new_ops;
item = get_item(items, i);
@@ -330,14 +329,11 @@ ReflItemList *get_twins(ReflItemList *items, const char *sym)
k = item->k;
l = item->l;
- ops = coset_decomp(h, k, l, sym);
- if ( num_items(ops) > n_twins ) {
- n_twins = num_items(ops);
- delete_items(max_ops);
- max_ops = ops;
- }
+ new_ops = coset_decomp(h, k, l, sym);
+ union_op_items(ops, new_ops);
+ delete_items(new_ops);
}
- return max_ops;
+ return ops;
}