X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Fharmonic_oscillator.c;h=b203453598ae34a149a85dc1b79827d4f8402b01;hb=20409ee0c545235c9246edde2d3cda5de0ddabde;hp=0d933b682719062a51d374f1c22ca62fdf9d1841;hpb=caa3bc828974c35df2462fde737c31c0a618ee4e;p=physik%2Fposic.git

diff --git a/potentials/harmonic_oscillator.c b/potentials/harmonic_oscillator.c
index 0d933b6..b203453 100644
--- a/potentials/harmonic_oscillator.c
+++ b/potentials/harmonic_oscillator.c
@@ -17,7 +17,7 @@
 
 #include "../moldyn.h"
 #include "../math/math.h"
-//#include "harmonic_oscillator.h"
+#include "harmonic_oscillator.h"
 
 int harmonic_oscillator(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc) {
 
@@ -25,8 +25,9 @@ int harmonic_oscillator(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc) {
 	t_3dvec force,distance;
 	double d,f;
 	double sc,equi_dist;
+	double energy;
 
-	params=moldyn->pot2b_params;
+	params=moldyn->pot_params;
 	sc=params->spring_constant;
 	equi_dist=params->equilibrium_distance;
 
@@ -37,7 +38,10 @@ int harmonic_oscillator(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc) {
 	if(bc) check_per_bound(moldyn,&distance);
 	d=v3_norm(&distance);
 	if(d<=moldyn->cutoff) {
-		moldyn->energy+=(0.5*sc*(d-equi_dist)*(d-equi_dist));
+		energy=(0.5*sc*(d-equi_dist)*(d-equi_dist));
+		moldyn->energy+=energy;
+		ai->e+=0.5*energy;
+		aj->e+=0.5*energy;
 		/* f = -grad E; grad r_ij = -1 1/r_ij distance */
 		f=sc*(1.0-equi_dist/d);
 		v3_scale(&force,&distance,f);