diff options
| -rw-r--r-- | src/reax.c | 50 |
1 files changed, 25 insertions, 25 deletions
@@ -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); } |