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1 /*
2  * lennard_jones.h - lennard jones potential header file
3  *
4  * author: Frank Zirkelbach <frank.zirkelbach@physik.uni-augsburg.de>
5  *
6  */
7
8 #ifndef LENNARD_JONES_H
9 #define LENNARD_JONES_H
10
11 /* types */
12 typedef struct s_lj_params {
13         double sigma6;
14         double sigma12;
15         double epsilon4;
16         double uc;
17 } t_lj_params;
18
19 /* function prototype */
20 int lennard_jones(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
21
22 #endif