diff options
| -rw-r--r-- | src/diffraction.c | 6 |
1 files changed, 3 insertions, 3 deletions
diff --git a/src/diffraction.c b/src/diffraction.c index 07749ac7..1c7e589a 100644 --- a/src/diffraction.c +++ b/src/diffraction.c @@ -89,9 +89,9 @@ static double complex molecule_factor(struct molecule *mol, struct threevec q, hd = q.u * ax + q.v * ay + q.w * az; kd = q.u * bx + q.v * by + q.w * bz; ld = q.u * cx + q.v * cy + q.w * cz; - h = (signed int)nearbyint(hd); - k = (signed int)nearbyint(kd); - l = (signed int)nearbyint(ld); + h = (signed int)rint(hd); + k = (signed int)rint(kd); + l = (signed int)rint(ld); r = get_integral(mol->reflections, h, k, l); |