bugfix dg of dV_ji,jk

[physik/posic.git] / moldyn.h

diff --git a/moldyn.h b/moldyn.h
index dd94b0e..23b5100 100644 (file)
--- a/moldyn.h
+++ b/moldyn.h
@@ -195,6 +195,7 @@ typedef struct s_tersoff_exchange {
        double f_a,df_a;
 
        t_3dvec dist_ij;
+       double d_ij2;
        double d_ij;
 
        double chi;