From fbc600e257c038d798d4597c2f1e9652e9dcd8fa Mon Sep 17 00:00:00 2001 From: Thomas White Date: Mon, 18 May 2015 14:26:51 +0200 Subject: Fix R and div gradients --- src/post-refinement.c | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/post-refinement.c b/src/post-refinement.c index 103bf487..a92403da 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -182,7 +182,6 @@ double gradient(Crystal *cr, int k, Reflection *refl, PartialityModel pmodel) double rlow, rhigh, p; struct image *image = crystal_get_image(cr); double R = crystal_get_profile_radius(cr); - double osf = crystal_get_osf(cr); double gr; signed int hi, ki, li; double s; @@ -211,7 +210,7 @@ double gradient(Crystal *cr, int k, Reflection *refl, PartialityModel pmodel) Rghigh = volume_fraction_rgradient(rhigh, R, pmodel); gr = 4.0*psph/(3.0*D) + (4.0*R/(3.0*D))*(Rglow - Rghigh); - return gr * osf; + return gr/p; } @@ -230,7 +229,7 @@ double gradient(Crystal *cr, int k, Reflection *refl, PartialityModel pmodel) ds = 2.0 * resolution(crystal_get_cell(cr), hs, ks, ls); gr = (ds/2.0)*(glow+ghigh) - 4.0*R*psph*ds/(3.0*D*D); - return gr * osf; + return gr/p; } @@ -357,6 +356,7 @@ static double pr_iterate(Crystal *cr, const RefList *full, rv[num_params++] = GPARAM_CSX; rv[num_params++] = GPARAM_CSY; rv[num_params++] = GPARAM_CSZ; + //rv[num_params++] = GPARAM_R; } /* If we are scaling, refine scale factors (duh) */ -- cgit v1.2.3