X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Flennard_jones.h;fp=potentials%2Flennard_jones.h;h=617658b66770aab159204405155a58937b9d4ea6;hb=e333d9448b383cd3977f3919b6a1283a1e5e40e8;hp=0000000000000000000000000000000000000000;hpb=296a35b943e922173ce648ec76a4472e287af108;p=physik%2Fposic.git diff --git a/potentials/lennard_jones.h b/potentials/lennard_jones.h new file mode 100644 index 0000000..617658b --- /dev/null +++ b/potentials/lennard_jones.h @@ -0,0 +1,22 @@ +/* + * lennard_jones.h - lennard jones potential header file + * + * author: Frank Zirkelbach + * + */ + +#ifndef LENNARD_JONES_H +#define LENNARD_JONES_H + +/* types */ +typedef struct s_lj_params { + double sigma6; + double sigma12; + double epsilon4; + double uc; +} t_lj_params; + +/* function prototype */ +int lennard_jones(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc); + +#endif