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some bugfixes ... com'on
[physik/posic.git]
/
moldyn.h
diff --git
a/moldyn.h
b/moldyn.h
index
09471a1
..
1145f8a
100644
(file)
--- a/
moldyn.h
+++ b/
moldyn.h
@@
-197,6
+197,7
@@
typedef struct s_tersoff_exchange {
double n_betan;
u8 run3bp;
+ u8 run2bp_post;
t_3dvec db_ij;
double sum1_3bp;