diff options
Diffstat (limited to 'src/sfac.c')
-rw-r--r-- | src/sfac.c | 8 |
1 files changed, 0 insertions, 8 deletions
@@ -438,8 +438,6 @@ double complex *get_reflections(struct molecule *mol, double en) double bsx, bsy, bsz; double csx, csy, csz; signed int h, k, l; - //double tscat = 0.0; - //double F00; const int do_thermal = 1; cell_get_reciprocal(mol->cell, &asx, &asy, &asz, @@ -494,18 +492,12 @@ double complex *get_reflections(struct molecule *mol, double en) } set_sfac(reflections, h, k, l, F); - //if ( (h!=0) || (k!=0) || (l!=0) ) { - // tscat += cabs(F); - //} else { - // F00 = cabs(F); - //} } progress_bar((k+INDMAX)+IDIM*(h+INDMAX), IDIM*IDIM-1, "Calculating structure factors"); } } - //STATUS("Total scattered = %f, F000 = %f\n", tscat, F00); return reflections; } |