diff options
Diffstat (limited to 'src/sfac.c')
| -rw-r--r-- | src/sfac.c | 6 |
1 files changed, 3 insertions, 3 deletions
@@ -400,7 +400,7 @@ double complex *get_reflections(struct molecule *mol, double en) &bsx, &bsy, &bsz, &csx, &csy, &csz); - reflections = reflist_new(); + reflections = new_list_sfac(); for ( h=-INDMAX; h<=INDMAX; h++ ) { for ( k=-INDMAX; k<=INDMAX; k++ ) { @@ -446,7 +446,7 @@ double complex *get_reflections(struct molecule *mol, double en) } - integrate_reflection(reflections, h, k, l, F); + set_sfac(reflections, h, k, l, F); //if ( (h!=0) || (k!=0) || (l!=0) ) { // tscat += cabs(F); //} else { @@ -477,7 +477,7 @@ void get_reflections_cached(struct molecule *mol, double en) goto calc; } - mol->reflections = reflist_new(); + mol->reflections = new_list_sfac(); r = fread(mol->reflections, sizeof(double complex), IDIM*IDIM*IDIM, fh); if ( r < IDIM*IDIM*IDIM ) { printf("Found cache file (%s), but failed to read.\n", s); |