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mods to corect 3bp derivative, still segfaulting ...
[physik/posic.git]
/
init
/
init.c
diff --git
a/init/init.c
b/init/init.c
index
07b4dc6
..
daeb3b1
100644
(file)
--- a/
init/init.c
+++ b/
init/init.c
@@
-35,16
+35,17
@@
int fcc_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin) {
}
v3_zero(&r);
}
v3_zero(&r);
- v3_add(&r,&r,&o);
count=0;
/* fill up the room */
count=0;
/* fill up the room */
+ r.x=o.x;
while(r.x<x) {
while(r.x<x) {
- r.y=
.0
;
+ r.y=
o.y
;
while(r.y<y) {
while(r.y<y) {
- r.z=
.0
;
+ r.z=
o.z
;
while(r.z<z) {
v3_copy(&(atom[count].r),&r);
while(r.z<z) {
v3_copy(&(atom[count].r),&r);
+ atom[count].element=1;
count+=1;
for(i=0;i<3;i++) {
v3_add(&n,&r,&basis[i]);
count+=1;
for(i=0;i<3;i++) {
v3_add(&n,&r,&basis[i]);