X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Falbe.c;fp=potentials%2Falbe.c;h=28008b0541b1d20a68351a46669d77f314b00bf6;hb=20409ee0c545235c9246edde2d3cda5de0ddabde;hp=c0a5fe4aba2b7c42280d9bc68f6b87c52677a380;hpb=5db010c4414a56e61298c7a42c7b7ca7ca46d40e;p=physik%2Fposic.git

diff --git a/potentials/albe.c b/potentials/albe.c
index c0a5fe4..28008b0 100644
--- a/potentials/albe.c
+++ b/potentials/albe.c
@@ -226,6 +226,7 @@ int albe_mult_3bp_j2(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc) {
 	double d_ij,r0;
 	unsigned char brand;
 	double S,R,s_r,arg;
+	double energy;
 
 	params=moldyn->pot_params;
 	exchange=&(params->exchange);
@@ -309,7 +310,9 @@ int albe_mult_3bp_j2(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc) {
 	exchange->pre_dzeta=-0.5*f_a*f_c*db;
 
 	/* energy contribution */
-	moldyn->energy+=0.5*f_c*(f_r+b*f_a);
+	energy=0.5*f_c*(f_r+b*f_a);
+	moldyn->energy+=energy;
+	ai->e+=energy;
 
 	/* reset k counter for second k loop */
 	exchange->kcount=0;