X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Fharmonic_oscillator.h;h=13125d939dcd22d86892928e5be4972cf4ac958f;hb=155e1cfea83209d09c2a06ae4fb7f5e1652fc00a;hp=c9c9891c56e5c1e9e37d946d38dfbdef6001d042;hpb=4c2140b0f76fb191bdd9b9c2a329877eb0aae531;p=physik%2Fposic.git

diff --git a/potentials/harmonic_oscillator.h b/potentials/harmonic_oscillator.h
index c9c9891..13125d9 100644
--- 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