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| author | Thomas White <taw27@cam.ac.uk> | 2008-10-03 15:58:00 +0100 |
|---|---|---|
| committer | Thomas White <taw27@cam.ac.uk> | 2008-10-03 15:58:00 +0100 |
| commit | 332755d03e9aafbe68af098351d27dfae1d55fab (patch) | |
| tree | 1dc133603e94bbdb25a7fd0f2efde041a174a37b | |
| parent | 744b84b3062a247412dfd92025bc0e9e29ccf895 (diff) | |
Show final deviations after refinement
Fix some debugging comments
| -rw-r--r-- | src/refine.c | 11 |
1 files changed, 9 insertions, 2 deletions
diff --git a/src/refine.c b/src/refine.c index 08408ac..e1f4939 100644 --- a/src/refine.c +++ b/src/refine.c @@ -413,13 +413,20 @@ double refine_do_cell(ControlContext *ctx) { if ( !(it % 1000) ) { printf("After %5i iterations: mean dev = %13.8f nm^1\n", it, mean_dev/DISPFACTOR); } - #endif /* REFINE_DEBUG_MORE */ + #endif /* REFINE_DEBUG */ } free(devcell_try); free(devcell_try_best); #if REFINE_DEBUG printf("Final mean dev (%5i iterations) = %13.8f nm^1\n", it, mean_dev/DISPFACTOR); - #endif /* REFINE_DEBUG_MORE */ + printf("Final cell deviation:\n"); + printf("a = %+10.8f %+10.8f %+10.8f nm^-1\n", devcell->a.x/DISPFACTOR, devcell->a.y/DISPFACTOR, + devcell->a.z/DISPFACTOR); + printf("b = %+10.8f %+10.8f %+10.8f nm^-1\n", devcell->b.x/DISPFACTOR, devcell->b.y/DISPFACTOR, + devcell->b.z/DISPFACTOR); + printf("c = %+10.8f %+10.8f %+10.8f nm^-1\n", devcell->c.x/DISPFACTOR, devcell->c.y/DISPFACTOR, + devcell->c.z/DISPFACTOR); + #endif /* REFINE_DEBUG */ /* Apply the final values to the cell */ ctx->cell->a.x += devcell->a.x; ctx->cell->b.x += devcell->b.x; ctx->cell->c.x += devcell->c.x; |