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

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

diff --git a/potentials/harmonic_oscillator.h b/potentials/harmonic_oscillator.h
index c9c9891..13125d9 100644 (file)
--- a/potentials/harmonic_oscillator.h
+++ b/potentials/harmonic_oscillator.h
@@ -15,6 +15,19 @@ typedef struct s_ho_params {
 } t_ho_params;
 
 /* function prototype */
+int harmonic_oscillator_set_params(t_moldyn *moldyn,int element);
 int harmonic_oscillator(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
+int harmonic_oscillator_check_2b_bond(t_moldyn *moldyn,
+                                      t_atom *ai,t_atom *aj,u8 bc);
+
+/* harmonic oscillator potential parameter defines */
+
+// silicon
+#define HO_SC_SI               1
+#define HO_ED_SI               (0.25*sqrt(3.0)*LC_SI)
+
+// carbon
+#define HO_SC_C                        1
+#define HO_ED_C                        (0.25*sqrt(3.0)*LC_C)
 
 #endif