aboutsummaryrefslogtreecommitdiff
path: root/src/sfac.c
diff options
context:
space:
mode:
Diffstat (limited to 'src/sfac.c')
-rw-r--r--src/sfac.c6
1 files changed, 3 insertions, 3 deletions
diff --git a/src/sfac.c b/src/sfac.c
index e70bc750..e25ee783 100644
--- a/src/sfac.c
+++ b/src/sfac.c
@@ -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);