From a15fa8a9103946b341d1e852c80ac80127d638d1 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 5 Jul 2019 16:25:54 +0200 Subject: Don't repeat scaling when refining This seems to be a major cause of "going off the rails", and the surfaces look reasonable (in fact, better) without it. Plus, if the user says --no-scale, there should be no scaling at all. --- src/post-refinement.c | 6 ------ 1 file changed, 6 deletions(-) (limited to 'src/post-refinement.c') diff --git a/src/post-refinement.c b/src/post-refinement.c index 6db1a48a..f98d56fd 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -655,11 +655,6 @@ static void do_pr_refine(Crystal *cr, const RefList *full, try_reindex(cr, full, sym, amb, scaleflags); - if ( scale_one_crystal(cr, full, scaleflags | SCALE_VERBOSE_ERRORS) ) { - ERROR("Bad scaling at start of refinement.\n"); - return; - } - zero_alter(&alter); priv.cr = cr; @@ -719,7 +714,6 @@ static void do_pr_refine(Crystal *cr, const RefList *full, apply_parameters(cr, cr, alter); update_predictions(cr); calculate_partialities(cr, PMODEL_XSPHERE); - scale_one_crystal(cr, full, scaleflags); if ( write_logs ) { write_gridscan(cr, full, cycle, serial, scaleflags); -- cgit v1.2.3