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authorThomas White <taw@physics.org>2010-08-17 18:14:44 +0200
committerThomas White <taw@physics.org>2012-02-22 15:26:55 +0100
commit0dcc9e2e1ea4fcbd37db5ab7ac74146098c2f4d7 (patch)
tree22fce4b990b75619c19613824289c3f71275635c /src/cell.c
parentac20d7cd290e7bac157b9b90a73a04a956ab6ee3 (diff)
Generation of templates (needs debugging)
Diffstat (limited to 'src/cell.c')
-rw-r--r--src/cell.c3
1 files changed, 3 insertions, 0 deletions
diff --git a/src/cell.c b/src/cell.c
index d6464a71..d6d101cc 100644
--- a/src/cell.c
+++ b/src/cell.c
@@ -207,6 +207,9 @@ static int cell_crystallographic_to_cartesian(UnitCell *cell,
{
double tmp, V, cosalphastar, cstar;
+ /* Note: Please consider and possibly change the ranges for template
+ * matching (in templates.c) if the calculations below are altered. */
+
/* Firstly: Get a in terms of x, y and z
* +a (cryst) is defined to lie along +x (cart) */
*ax = cell->a;