X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Flennard_jones.c;h=1277c466c919d98f3137c63dbab487bd2e70bc1e;hb=e25ff194682ff5fac86c60701343103e74973bed;hp=1738ea547c0e8600a4f0c8a6f06d8c2cd026a9b1;hpb=e333d9448b383cd3977f3919b6a1283a1e5e40e8;p=physik%2Fposic.git

diff --git a/potentials/lennard_jones.c b/potentials/lennard_jones.c
index 1738ea5..1277c46 100644
--- a/potentials/lennard_jones.c
+++ b/potentials/lennard_jones.c
@@ -35,10 +35,11 @@ int lennard_jones(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc) {
 
 	v3_sub(&distance,&(aj->r),&(ai->r));
 	if(bc) check_per_bound(moldyn,&distance);
-	d=v3_absolute_square(&distance);	/* 1/r^2 */
+	d=v3_absolute_square(&distance);	/* r^2 */
 	if(d<=moldyn->cutoff_square) {
 		d=1.0/d; 			/* 1/r^2 */
 		h2=d*d;				/* 1/r^4 */
+		h2*=d;				/* 1/r^6 */
 		h1=h2*h2;			/* 1/r^12 */
 		moldyn->energy+=(eps*(sig12*h1-sig6*h2)-params->uc);
 		h2*=d;				/* 1/r^8 */