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little more tersoff ...
[physik/posic.git]
/
moldyn.h
diff --git
a/moldyn.h
b/moldyn.h
index
0022208
..
49ca0b2
100644
(file)
--- a/
moldyn.h
+++ b/
moldyn.h
@@
-89,6
+89,15
@@
typedef struct s_lj_params {
double epsilon4;
} t_lj_params;
+typedef struct s_tersoff_params {
+ double l_1,l_2;
+ double m_1,m_2;
+ double a_1,a_2;
+ double b_1,b_2;
+ double r_1,r_2;
+ double s_1,s_2;
+} t_tersoff_params;
+
/*
* defines
*/