new linked list system, still a pain inthe ...

[physik/posic.git] / init / init.c

diff --git a/init/init.c b/init/init.c
deleted file mode 100644 (file)
index daeb3b1..0000000
--- a/init/init.c
+++ /dev/null
@@ -1,91 +0,0 @@
-/*
- * init.c - create initial conditions
- *
- * author: Frank Zirkelbach <frank.zirkelbach@physik.uni-augsburg.de>
- *
- */
-
-#include "../math/math.h"
-#include "../moldyn.h"
-
-/* fcc lattice init */
-int fcc_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin) {
-
-       int count;
-       int i,j;
-       t_3dvec o,r,n;
-       t_3dvec basis[3];
-       double help[3];
-       double x,y,z;
-
-       x=a*lc;
-       y=b*lc;
-       z=c*lc;
-
-       if(origin) v3_copy(&o,origin);
-       else v3_zero(&o);
-
-       /* construct the basis */
-       for(i=0;i<3;i++) {
-               for(j=0;j<3;j++) {
-                       if(i!=j) help[j]=0.5*lc;
-                       else help[j]=.0;
-               }
-               v3_set(&basis[i],help);
-       }
-
-       v3_zero(&r);
-       count=0;
-       
-       /* fill up the room */
-       r.x=o.x;
-       while(r.x<x) {
-               r.y=o.y;
-               while(r.y<y) {
-                       r.z=o.z;
-                       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]);
-                                       if((n.x<x+o.x)&&(n.y<y+o.y)&&(n.z<z+o.z)) {
-                                               v3_copy(&(atom[count].r),&n);
-                                               count+=1;
-                                       }
-                               }
-                               r.z+=lc;        
-                       }
-                       r.y+=lc;
-               }
-               r.x+=lc;
-       }
-
-       /* coordinate transformation */
-       help[0]=x/2.0;
-       help[1]=y/2.0;
-       help[2]=z/2.0;
-       v3_set(&n,help);
-       for(i=0;i<count;i++)
-               v3_sub(&(atom[i].r),&(atom[i].r),&n);
-               
-       return count;
-}
-
-int diamond_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin) {
-
-       int count;
-       t_3dvec o;
-
-       count=fcc_init(a,b,c,lc,atom,origin);
-
-       o.x=0.25*lc;
-       o.y=0.25*lc;
-       o.z=0.25*lc;
-
-       if(origin) v3_add(&o,&o,origin);
-
-       count+=fcc_init(a,b,c,lc,&atom[count],&o);
-
-       return count;
-}