- printf("[sic] selecting potential\n");
- set_potential1b(&md,tersoff_mult_1bp,&tp);
- set_potential2b(&md,tersoff_mult_2bp,&tp);
- set_potential2b_post(&md,tersoff_mult_post_2bp,&tp);
- set_potential3b(&md,tersoff_mult_3bp,&tp);
- //set_potential2b(&md,lennard_jones,&lj);
+ //set_potential1b(&md,tersoff_mult_1bp,&tp);
+ //set_potential2b(&md,tersoff_mult_2bp,&tp);
+ //set_potential2b_post(&md,tersoff_mult_post_2bp,&tp);
+ //set_potential3b(&md,tersoff_mult_3bp,&tp);
+ set_potential2b(&md,lennard_jones,&lj);
+ //set_potential2b(&md,harmonic_oscillator,&ho);
+
+ /* cutoff radius */
+ //set_cutoff(&md,TM_S_SI);
+ //set_cutoff(&md,2*LC_SI*0.5*sqrt(1.5));
+ set_cutoff(&md,2.0*LC_SI);