X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Falbe.h;h=3d0d7e5b7394e885be9117f23f6889f4b9f71b81;hb=452a348351ae8a2255809918a05683d2510655ce;hp=87f45a08247e952c0cda7bbb5b93567c595faf45;hpb=45f9190fc7489f3f9ff8f0d917945b1d5bc9d584;p=physik%2Fposic.git diff --git a/potentials/albe.h b/potentials/albe.h index 87f45a0..3d0d7e5 100644 --- a/potentials/albe.h +++ b/potentials/albe.h @@ -80,11 +80,23 @@ typedef struct s_albe_mult_params { t_albe_exchange exchange; /* exchange between 2bp and 3bp calc */ } t_albe_mult_params; +#ifdef PTHREADS +typedef struct s_kdata { + t_moldyn *moldyn; + t_atom *ai,*aj,*ak; + unsigned char bc; +} t_kdata; +#endif + /* function prototypes */ int albe_mult_set_params(t_moldyn *moldyn,int element1,int elemnt2); int albe_mult_3bp_j1(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc); +#ifdef PTHREADS +void *albe_mult_3bp_k1(void *ptr); +#else int albe_mult_3bp_k1(t_moldyn *moldyn, t_atom *ai,t_atom *aj,t_atom *ak,u8 bc); +#endif int albe_mult_3bp_j2(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc); int albe_mult_3bp_k2(t_moldyn *moldyn, t_atom *ai,t_atom *aj,t_atom *ak,u8 bc);