X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.c;h=ba3c1a30c8c2bd995a2ac2264d9a79984db01015;hb=706aed2512544b99ff34308fdb673b19ee884ce0;hp=029f7c756bd8f31871b4e7da5ae51f887db68031;hpb=710717c4033bc5b8eb34644914e762a2834ae345;p=physik%2Fposic.git diff --git a/moldyn.c b/moldyn.c index 029f7c7..ba3c1a3 100644 --- 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;