X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.c;h=3d669d223401ddd8fe9277e9ea07654186e7018e;hb=83775c491117faa149281d0302fc8b8064d6b080;hp=08901c783452a006b638787351b735e20e2a56c3;hpb=3961d57b84198e336085fd79263fec40837066a0;p=physik%2Fposic.git

diff --git a/moldyn.c b/moldyn.c
index 08901c7..3d669d2 100644
--- 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);