diff options
| author | Thomas White <taw@physics.org> | 2015-05-18 14:26:51 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-05-19 13:57:53 +0200 |
| commit | fbc600e257c038d798d4597c2f1e9652e9dcd8fa (patch) | |
| tree | f2f7385facdc82d3e487ac1b870b7711f828ad01 /src/post-refinement.c | |
| parent | 71b1a3242c2ef6e5419f566324a22c6bfa5119fd (diff) | |
Fix R and div gradients
Diffstat (limited to 'src/post-refinement.c')
| -rw-r--r-- | src/post-refinement.c | 6 |
1 files 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) */ |