X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=sic.c;fp=sic.c;h=f769f6fb7c0e1a87544368d66421158f659b89e4;hb=787848dc9bf3daa2ccb76296de904688cc504a45;hp=e33d93429eb2804afd579da1fcecc69806ac58d7;hpb=4416acfc0eb87fa9d6a5e3671e22181591836fe9;p=physik%2Fposic.git diff --git a/sic.c b/sic.c index e33d934..f769f6f 100644 --- a/sic.c +++ b/sic.c @@ -327,23 +327,23 @@ int main(int argc,char **argv) { #ifdef INIT_SI create_lattice(&md,DIAMOND,ALBE_LC_SI,SI,M_SI, ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB, - 0,LCNTX,LCNTY,LCNTZ,NULL); + 0,LCNTX,LCNTY,LCNTZ,NULL,0,NULL); #endif #ifdef INIT_C create_lattice(&md,DIAMOND,ALBE_LC_C,C,M_C, ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB, - 1,LCNTX,LCNTY,LCNTZ,NULL); + 1,LCNTX,LCNTY,LCNTZ,NULL,0,NULL); #endif #else #ifdef INIT_SI create_lattice(&md,DIAMOND,LC_SI,SI,M_SI, ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB, - 0,LCNTX,LCNTY,LCNTZ,NULL); + 0,LCNTX,LCNTY,LCNTZ,NULL,0,NULL); #endif #ifdef INIT_C create_lattice(&md,DIAMOND,LC_C,SI,M_SI, ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB, - 1,LCNTX,LCNTY,LCNTZ,NULL); + 1,LCNTX,LCNTY,LCNTZ,NULL,0,NULL); #endif #endif @@ -353,20 +353,20 @@ int main(int argc,char **argv) { r.x=0.5*0.25*ALBE_LC_SIC; r.y=r.x; r.z=r.x; create_lattice(&md,FCC,ALBE_LC_SIC,SI,M_SI, ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB, - 0,LCNTX,LCNTY,LCNTZ,&r); + 0,LCNTX,LCNTY,LCNTZ,&r,0,NULL); r.x+=0.25*ALBE_LC_SIC; r.y=r.x; r.z=r.x; create_lattice(&md,FCC,ALBE_LC_SIC,C,M_C, ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB|ATOM_ATTR_VB, - 1,LCNTX,LCNTY,LCNTZ,&r); + 1,LCNTX,LCNTY,LCNTZ,&r,0,NULL); #else r.x=0.5*0.25*TM_LC_SIC; r.y=r.x; r.z=r.x; create_lattice(&md,FCC,TM_LC_SIC,SI,M_SI, ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB, - 0,LCNTX,LCNTY,LCNTZ,&r); + 0,LCNTX,LCNTY,LCNTZ,&r,0,NULL); r.x+=0.25*TM_LC_SIC; r.y=r.x; r.z=r.x; create_lattice(&md,FCC,TM_LC_SIC,C,M_C, ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB, - 1,LCNTX,LCNTY,LCNTZ,&r); + 1,LCNTX,LCNTY,LCNTZ,&r,0,NULL); #endif #endif