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| author | Thomas White <taw@physics.org> | 2017-02-23 17:21:13 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-02-27 17:12:41 +0100 |
| commit | df2d5a6e4cb888b81c0a0869e7927e8db9b3621d (patch) | |
| tree | 2a37f83eb4fab73f34612e6019ac2d7e92c7d9fd | |
| parent | af6049b9a7f51835d8ad2b1cbb4576f2cb6f0adc (diff) | |
Record residuals before and after refinement
| -rw-r--r-- | src/post-refinement.c | 7 |
1 files changed, 5 insertions, 2 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index ef8ae844..9369cfe9 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -365,11 +365,14 @@ static void do_pr_refine(Crystal *cr, const RefList *full, int n_iter = 0; int status; double ang1, ang2; + double residual_start, residual_free_start; + + residual_start = residual(cr, full, 0, NULL, NULL); + residual_free_start = residual(cr, full, 1, NULL, NULL); if ( verbose ) { STATUS("\nPR initial: dev = %10.5e, free dev = %10.5e\n", - residual(cr, full, 0, NULL, NULL), - residual(cr, full, 1, NULL, NULL)); + residual_start, residual_free_start); } /* The parameters to be refined */ |