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finished basic tersoff stuff, now start fixing ... !
[physik/posic.git]
/
moldyn.h
diff --git
a/moldyn.h
b/moldyn.h
index
9c63307
..
0a6b4f2
100644
(file)
--- a/
moldyn.h
+++ b/
moldyn.h
@@
-145,6
+145,7
@@
typedef struct s_tersoff_exchange {
double c2;
double d2;
double c2d2;
double c2;
double d2;
double c2d2;
+ double betan;
u8 run3bp;
} t_tersoff_exchange;
u8 run3bp;
} t_tersoff_exchange;