compiler probs ?!? bc check ... (working with gcc-3.4)
[physik/posic.git] / moldyn.c
index 4ddc42e..8f6f262 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -781,15 +781,12 @@ int velocity_verlet(t_moldyn *moldyn) {
                v3_add(&(atom[i].r),&(atom[i].r),&delta);
                v3_scale(&delta,&(atom[i].f),0.5*tau_square/atom[i].mass);
                v3_add(&(atom[i].r),&(atom[i].r),&delta);
-//if(i==0) printf("und dann %.20f\n",atom[i].r.x*1e10);
                check_per_bound(moldyn,&(atom[i].r));
-//if(i==0) printf("und danach %.20f\n",atom[i].r.x);
 
                /* velocities */
                v3_scale(&delta,&(atom[i].f),0.5*tau/atom[i].mass);
                v3_add(&(atom[i].v),&(atom[i].v),&delta);
        }
-moldyn_bc_check(moldyn);
 
        /* neighbour list update */
        link_cell_update(moldyn);