testing

[physik/posic.git] / moldyn.c

diff --git a/moldyn.c b/moldyn.c
index 08901c7..3d669d2 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -199,9 +199,10 @@ int moldyn_integrate(t_moldyn *moldyn) {
 
                /* check for visualiziation */
                // to be continued ...
-               if(!(i%100)) 
+               if(!(i%1)) {
                        visual_atoms(moldyn->visual,i*moldyn->tau,
                                     moldyn->atom,moldyn->count);
+               }
        }
 
        return 0;
@@ -321,7 +322,7 @@ int force_lennard_jones(t_moldyn *moldyn) {
                                h1*=h2;                         /* 1/r^14 */
                                h1*=sig12;
                                h2*=sig6;
-                               d=-12.0*h1+6.0*h2;
+                               d=12.0*h1-6.0*h2;
                                d*=eps;
                                v3_scale(&force,&distance,d);
                                v3_add(&(atom[j].f),&(atom[j].f),&force);