From 0dcc9e2e1ea4fcbd37db5ab7ac74146098c2f4d7 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 17 Aug 2010 18:14:44 +0200 Subject: Generation of templates (needs debugging) --- src/cell.c | 3 +++ 1 file changed, 3 insertions(+) (limited to 'src/cell.c') 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; -- cgit v1.2.3