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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 f_a,df_a;
t_3dvec dist_ij;
+ double d_ij2;
double d_ij;
double chi;
double d_ij;
double chi;