/* choose potential */
set_potential1b(&md,tersoff_mult_1bp);
- set_potential2b(&md,tersoff_mult_2bp);
+ //set_potential2b(&md,tersoff_mult_2bp);
//set_potential3b_j1(&md,tersoff_mult_2bp);
//set_potential3b_k1(&md,tersoff_mult_3bp);
//set_potential3b_j3(&md,tersoff_mult_post_2bp);