adapted all potential to new scheme + necessary mods to main code

[physik/posic.git] / moldyn.c

diff --git a/moldyn.c b/moldyn.c
index def5079..a1bfcae 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -257,6 +257,14 @@ int set_potential(t_moldyn *moldyn,u8 type) {
                        moldyn->func3b_k2=albe_mult_3bp_k2;
                        moldyn->check_2b_bond=albe_mult_check_2b_bond;
                        break;
+               case MOLDYN_POTENTIAL_HO:
+                       moldyn->func2b=harmonic_oscillator;
+                       moldyn->check_2b_bond=harmonic_oscillator_check_2b_bond;
+                       break;
+               case MOLDYN_POTENTIAL_LJ:
+                       moldyn->func2b=lennard_jones;
+                       moldyn->check_2b_bond=lennard_jones_check_2b_bond;
+                       break;
                default:
                        printf("[moldyn] set potential: unknown type %02x\n",
                               type);