added 2b bond check for tersoff

[physik/posic.git] / moldyn.c

diff --git a/moldyn.c b/moldyn.c
index a4fef49..dd8a527 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -220,7 +220,7 @@ int set_potential(t_moldyn *moldyn,u8 type) {
                        moldyn->func3b_k1=tersoff_mult_3bp_k1;
                        moldyn->func3b_j2=tersoff_mult_3bp_j2;
                        moldyn->func3b_k2=tersoff_mult_3bp_k2;
-                       // missing: check 2b bond func
+                       moldyn->check_2b_bond=tersoff_mult_check_2b_bond;
                        break;
                case MOLDYN_POTENTIAL_AM:
                        moldyn->func3b_j1=albe_mult_3bp_j1;