added 2b bond check for tersoff

[physik/posic.git] / potentials / tersoff.h

diff --git a/potentials/tersoff.h b/potentials/tersoff.h
index 4e12957..a23503a 100644 (file)
--- a/potentials/tersoff.h
+++ b/potentials/tersoff.h
@@ -83,6 +83,7 @@ int tersoff_mult_3bp_k1(t_moldyn *moldyn,
 int tersoff_mult_3bp_j2(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
 int tersoff_mult_3bp_k2(t_moldyn *moldyn,
                         t_atom *ai,t_atom *aj,t_atom *ak,u8 bc);
+int tersoff_mult_check_2b_bond(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
 
 /* tersoff potential paramter defines */