diff options
| author | Thomas White <taw@bitwiz.org.uk> | 2015-05-09 00:28:42 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-05-19 13:57:14 +0200 |
| commit | d5c4f2c4f68ac0893b7f37d8835cd01c849360e8 (patch) | |
| tree | 3bcd528efd02a611fc571c9761f180a9b40fab48 /src/post-refinement.c | |
| parent | 143981305d0e3859e60a65d9f0b3d2ab147cdd52 (diff) | |
Minimise Ipart-GpIfull/L instead of Ipart-pIfull/GL
It's about a million times easier
Diffstat (limited to 'src/post-refinement.c')
| -rw-r--r-- | src/post-refinement.c | 14 |
1 files changed, 7 insertions, 7 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 51645f50..3008b7af 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -174,7 +174,7 @@ static double volume_fraction(double rlow, double rhigh, double pr, } -/* Return the gradient of p/G wrt parameter 'k' given the current status +/* Return the gradient of pG wrt parameter 'k' given the current status * of the crystal. */ double gradient(Crystal *cr, int k, Reflection *refl, PartialityModel pmodel) { @@ -188,7 +188,7 @@ double gradient(Crystal *cr, int k, Reflection *refl, PartialityModel pmodel) get_partial(refl, &rlow, &rhigh, &p); if ( k == GPARAM_OSF ) { - return -p/(osf*osf); + return p; } if ( k == GPARAM_R ) { @@ -203,7 +203,7 @@ 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 * osf; } @@ -222,12 +222,12 @@ 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 * osf; } gr = r_gradient(crystal_get_cell(cr), k, refl, image) * (glow-ghigh); - return gr / osf; + return gr * osf; } @@ -429,7 +429,7 @@ static double pr_iterate(Crystal *cr, const RefList *full, } - delta_I = I_partial - (p * I_full / (L*G)); + delta_I = I_partial - (G * p * I_full / L); v_c = w * delta_I * gradients[k]; v_curr = gsl_vector_get(v, k); gsl_vector_set(v, k, v_curr + v_c); @@ -512,7 +512,7 @@ static double guide_dev(Crystal *cr, const RefList *full) // h, k, l, G, p, I_partial, I_full, // I_partial - p*G*I_full); - dev += pow(I_partial - p*I_full/(G*L), 2.0); + dev += pow(I_partial - G*p*I_full/L, 2.0); } |