diff options
| author | Thomas White <taw@physics.org> | 2011-05-10 17:13:21 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:26 +0100 |
| commit | c6784d2b800589e2f1a0df79fa0dcecb587dc2a6 (patch) | |
| tree | 4f0c608bcb949c598939f679295eaae20505336e /src/post-refinement.c | |
| parent | 39854387bd8fcf4f5a8c89ccb39a6a0f0171985a (diff) | |
Refine all cell parameters
Diffstat (limited to 'src/post-refinement.c')
| -rw-r--r-- | src/post-refinement.c | 11 |
1 files changed, 1 insertions, 10 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 27ce6605..d416cc0b 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -40,10 +40,10 @@ enum { REF_ASY, REF_BSY, REF_CSY, - NUM_PARAMS, REF_ASZ, REF_BSZ, REF_CSZ, + NUM_PARAMS, REF_DIV, REF_R, }; @@ -205,14 +205,6 @@ static void apply_cell_shift(UnitCell *cell, int k, double shift) cell_set_reciprocal(cell, asx, asy, asz, bsx, bsy, bsz, csx, csy, csz); - - if ( k == REF_CSZ ) { - double a, b, c, al, be, ga; - cell_get_parameters(cell, &a, &b, &c, &al, &be, &ga); - STATUS("New cell: %5.2f %5.2f %5.2f nm %5.2f %5.2f %5.2f deg\n", - a/1.0e-9, b/1.0e-9, c/1.0e-9, - rad2deg(al), rad2deg(be), rad2deg(ga)); - } } @@ -329,7 +321,6 @@ static double pr_iterate(struct image *image, const RefList *full, } } - //STATUS("total gradient = %e\n", gsl_matrix_get(M, 0, 0)); //show_matrix_eqn(M, v, NUM_PARAMS); shifts = gsl_vector_alloc(NUM_PARAMS); |