X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.c;h=551e07a89ea47bde8a3ad8439308f9a94a6f93e8;hb=72ce33393b80034e6407f506de88652895ffab23;hp=c25fed3ae9d4c21587336bc2cf321d0bd96b5bbb;hpb=6423f952c8c02efc4fd9198b167bbbafe5305671;p=physik%2Fposic.git

diff --git a/moldyn.c b/moldyn.c
index c25fed3..551e07a 100644
--- a/moldyn.c
+++ b/moldyn.c
@@ -1001,6 +1001,9 @@ int potential_force_calc(t_moldyn *moldyn) {
 		/* reset viral of atom i */
 		v3_zero(&(itom[i].virial));
 
+		/* reset site energy */
+		itom[i].e=0.0;
+
 		/* single particle potential/force */
 		if(itom[i].attr&ATOM_ATTR_1BP)
 			moldyn->func1b(moldyn,&(itom[i]));