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authorThomas White <taw@physics.org>2011-08-15 14:17:25 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:36 +0100
commit22af0f09eb410c397d0fee3af72710765efb2f3b (patch)
tree25b0093de45c7d4a0ef287b8462a998c475a1781 /src
parent60d4d5388355ba1f8306c6d01bab98dc53f2addf (diff)
Comment out alignment stuff
Diffstat (limited to 'src')
-rw-r--r--src/reax.c50
1 files changed, 25 insertions, 25 deletions
diff --git a/src/reax.c b/src/reax.c
index a6b53c30..ff1ea582 100644
--- a/src/reax.c
+++ b/src/reax.c
@@ -429,32 +429,32 @@ static void refine_rigid_group(struct image *image, UnitCell *cell,
fftw_execute_dft(pr->r_plan, r_fft_in, r_fft_out);
- max = 0.0;
- FILE *fh = fopen("centering.dat", "w");
- for ( i=0; i<pr->cw; i++ ) {
- for ( j=0; j<pr->ch; j++ ) {
-
- double re, im, am, ph;
-
- re = r_fft_out[i + pr->cw*j][0];
- im = r_fft_out[i + pr->cw*j][1];
- am = sqrt(re*re + im*im);
- ph = atan2(im, re);
-
- if ( am > max ) {
- max = am;
- max_i = i;
- max_j = j;
- }
-
- fprintf(fh, "%f ", am);
-
- }
- fprintf(fh, "\n");
- }
+// max = 0.0;
+// FILE *fh = fopen("centering.dat", "w");
+// for ( i=0; i<pr->cw; i++ ) {
+// for ( j=0; j<pr->ch; j++ ) {
+//
+// double re, im, am, ph;
+//
+// re = r_fft_out[i + pr->cw*j][0];
+// im = r_fft_out[i + pr->cw*j][1];
+// am = sqrt(re*re + im*im);
+// ph = atan2(im, re);
+//
+// if ( am > max ) {
+// max = am;
+// max_i = i;
+// max_j = j;
+// }
+//
+// fprintf(fh, "%f ", am);
+//
+// }
+// fprintf(fh, "\n");
+// }
// STATUS("Max at %i, %i\n", max_i, max_j);
- fclose(fh);
- exit(1);
+// fclose(fh);
+// exit(1);
// STATUS("Offsets for '%s': %.2f, %.2f pixels\n", rg, dx, dy);
}