aboutsummaryrefslogtreecommitdiff
path: root/src/diffraction.c
diff options
context:
space:
mode:
Diffstat (limited to 'src/diffraction.c')
-rw-r--r--src/diffraction.c3
1 files changed, 2 insertions, 1 deletions
diff --git a/src/diffraction.c b/src/diffraction.c
index 0fd8dea9..87f2a5f7 100644
--- a/src/diffraction.c
+++ b/src/diffraction.c
@@ -80,12 +80,13 @@ static double complex molecule_factor(struct molecule *mol, struct threevec q,
double en)
{
int i;
- double F = 0.0;
+ double complex F = 0.0;
double s;
/* s = sin(theta)/lambda = 1/2d = (1/d)/2.0 */
s = modulus(q.u, q.v, q.w) / 2.0;
+ /* Atoms are grouped by species for faster calculation */
for ( i=0; i<mol->n_species; i++ ) {
double complex sfac;