X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=blobdiff_plain;f=init%2Finit.c;fp=init%2Finit.c;h=0000000000000000000000000000000000000000;hb=60f40345bc4fcd8448d724dc67bbb512ec081bd4;hp=daeb3b14b6891848643c9570712ba62f42653a3a;hpb=88ea16029cc07a837977f737f4536fa3e881dcee;p=physik%2Fposic.git diff --git a/init/init.c b/init/init.c deleted file mode 100644 index daeb3b1..0000000 --- a/init/init.c +++ /dev/null @@ -1,91 +0,0 @@ -/* - * init.c - create initial conditions - * - * author: Frank Zirkelbach - * - */ - -#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