init testing

[physik/posic.git] / moldyn.c

diff --git a/moldyn.c b/moldyn.c
index 029f7c7..ba3c1a3 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -15,13 +15,13 @@
 
 
 int create_lattice(unsigned char type,int element,double mass,double lc,
-                   t_3dvec *dim,t_atom **atom) {
+                   int a,int b,int c,t_atom **atom) {
 
        int count;
        int ret;
        t_3dvec origin;
 
-       count=((dim->x/lc)*(dim->y/lc)*(dim->z/lc));
+       count=a*b*c;
 
        if(type==FCC) count*=4;
        if(type==DIAMOND) count*=8;
@@ -36,10 +36,10 @@ int create_lattice(unsigned char type,int element,double mass,double lc,
 
        switch(type) {
                case FCC:
-                       ret=fcc_init(dim,lc,*atom,&origin);
+                       ret=fcc_init(a,b,c,lc,*atom,&origin);
                        break;
                case DIAMOND:
-                       ret=diamond_init(dim,lc,*atom,&origin);
+                       ret=diamond_init(a,b,c,lc,*atom,&origin);
                        break;
                default:
                        ret=-1;