create_lattice(&moldyn,FCC,mdrun.lc,mdrun.fill_element,
mdrun.m1,DEFAULT_ATOM_ATTR,
mdrun.fill_brand,mdrun.lx,
- mdrun.ly,mdrun.lz,NULL);
+ mdrun.ly,mdrun.lz,NULL,0,NULL);
break;
case DIAMOND:
create_lattice(&moldyn,DIAMOND,mdrun.lc,
mdrun.fill_element,
mdrun.m1,DEFAULT_ATOM_ATTR,
mdrun.fill_brand,mdrun.lx,
- mdrun.ly,mdrun.lz,NULL);
+ mdrun.ly,mdrun.lz,NULL,0,NULL);
break;
case ZINCBLENDE:
o.x=0.5*0.25*mdrun.lc; o.y=o.x; o.z=o.x;
create_lattice(&moldyn,FCC,mdrun.lc,mdrun.element1,
mdrun.m1,DEFAULT_ATOM_ATTR,0,mdrun.lx,
- mdrun.ly,mdrun.lz,&o);
+ mdrun.ly,mdrun.lz,&o,0,NULL);
o.x+=0.25*mdrun.lc; o.y=o.x; o.z=o.x;
create_lattice(&moldyn,FCC,mdrun.lc,mdrun.element2,
mdrun.m2,DEFAULT_ATOM_ATTR,1,mdrun.lx,
- mdrun.ly,mdrun.lz,&o);
+ mdrun.ly,mdrun.lz,&o,0,NULL);
break;
case NONE:
set_nn_dist(&moldyn,mdrun.nnd);