X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Ftersoff_orig.c;h=69b67ace63e630a7a0b6fe623aae269e57094f17;hb=7fcb896467bdf236f60c4c3784a9d51214737fcb;hp=90121f26bb1cda4855e75abb27a418c66089a177;hpb=0b96eb313c9bfec6272b1f8de0d99c4ce26d1686;p=physik%2Fposic.git

diff --git a/potentials/tersoff_orig.c b/potentials/tersoff_orig.c
index 90121f2..69b67ac 100644
--- a/potentials/tersoff_orig.c
+++ b/potentials/tersoff_orig.c
@@ -310,7 +310,7 @@ int tersoff_mult_post_2bp(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc) {
 	else {
 		tmp=betaini*pow(zeta,ni-1.0);		/* beta^n * zeta^n-1 */
 		b=(1+zeta*tmp);				/* 1 + beta^n zeta^n */
-		db=chi*pow(b,-1.0/(2*ni)-1);		/* x(...)^(-1/2n - 1) */
+		db=chi*pow(b,-1.0/(2.0*ni)-1);		/* x(...)^(-1/2n - 1) */
 		b=db*b;					/* b_ij */
 		db*=-0.5*tmp;				/* db_ij */
 		v3_scale(&force,&(exchange->dzeta_ij),f_a*db);