X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Falbe.h;h=89cdae28dfd0acc4ad2d27d3b158582f8b86bfca;hb=0dcc7bab1d1dbd22996c9de848ed54d5d9be656b;hp=14d7af6f7c2428f1f0e0e63955554ac249c40362;hpb=bceac31a950f994d999fd7cdf9d4e80e52ef8ed8;p=physik%2Fposic.git diff --git a/potentials/albe.h b/potentials/albe.h index 14d7af6..89cdae2 100644 --- a/potentials/albe.h +++ b/potentials/albe.h @@ -89,6 +89,8 @@ 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); int albe_mult_check_2b_bond(t_moldyn *moldyn,t_atom *itom,t_atom *jtom,u8 bc); +/* fast */ +int albe_potential_force_calc(t_moldyn *moldyn); /* albe potential parameter defines */