double mu_m; /* mixed mu */
double gamma[2];
+ double gamma_m;
double c[2];
+ double c_mixed;
double d[2];
+ double d_mixed;
double h[2];
+ double h_mixed;
t_albe_exchange exchange; /* exchange between 2bp and 3bp calc */
} t_albe_mult_params;
/* function prototypes */
int albe_mult_complete_params(t_albe_mult_params *p);
-int albe_mult_1bp(t_moldyn *moldyn,t_atom *ai);
-int albe_mult_2bp(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
int albe_mult_3bp_j1(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
int albe_mult_3bp_k1(t_moldyn *moldyn,
t_atom *ai,t_atom *aj,t_atom *ak,u8 bc);