From 1acd2a02602a98a6286553868ed770427087c021 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 12 Mar 2013 12:26:14 +0100 Subject: Fix radius gradient --- src/post-refinement.c | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'src/post-refinement.c') diff --git a/src/post-refinement.c b/src/post-refinement.c index 32a93f38..9e4649a2 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -81,7 +81,7 @@ static double partiality_rgradient(double r, double profile_radius) dpdq = 6.0*(q-pow(q, 2.0)); /* dq/drad */ - dqdrad = 0.5 * (1.0 - r * pow(profile_radius, -2.0)); + dqdrad = -0.5 * r * pow(profile_radius, -2.0); return dpdq * dqdrad; } @@ -162,7 +162,7 @@ double gradient(Crystal *cr, int k, Reflection *refl, PartialityModel pmodel) case REF_R : gr = partiality_rgradient(rlow, r); - gr += partiality_rgradient(rhigh, r); + gr -= partiality_rgradient(rhigh, r); return gr; /* Cell parameters and orientation */ -- cgit v1.2.3