just foo

[physik/posic.git] / moldyn.c

diff --git a/moldyn.c b/moldyn.c
index c25fed3..551e07a 100644 (file)
--- 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]));