X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.h;h=6fda9ceef79e9853c0967c31004a59240e83c820;hb=452a348351ae8a2255809918a05683d2510655ce;hp=da951b5b54cd440f82facea485193738efce2206;hpb=99a9305339d568641a7ec55783faa161b3c33311;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index da951b5..6fda9ce 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -117,8 +117,12 @@ typedef struct s_moldyn {
 	int (*func3b_j1)(struct s_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
 	int (*func3b_j2)(struct s_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
 	int (*func3b_j3)(struct s_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
+#ifdef PTHREADS
+	void *(*func3b_k1)(void *ptr);
+#else
 	int (*func3b_k1)(struct s_moldyn *moldyn,
 	                 t_atom *ai,t_atom *aj,t_atom *ak,u8 bck);
+#endif
 	int (*func3b_k2)(struct s_moldyn *moldyn,
 	                 t_atom *ai,t_atom *aj,t_atom *ak,u8 bck);
 	void *pot_params;
@@ -463,6 +467,10 @@ int moldyn_load(t_moldyn *moldyn);
 int process_2b_bonds(t_moldyn *moldyn,void *data,
                      int (*process)(t_moldyn *moldyn,t_atom *itom,t_atom *jtom,
                                     void *data,u8 bc));
+int process_neighbours(t_moldyn *moldyn,void *data,t_atom *atom,
+                       int (*process)(t_moldyn *moldyn,t_atom *atom,t_atom *natom,
+                                      void *data,u8 bc));
+
 int get_line(int fd,char *line,int max);
 
 int pair_correlation_init(t_moldyn *moldyn,double dr);
@@ -477,7 +485,11 @@ int bond_analyze(t_moldyn *moldyn,double *quality);
 int visual_init(t_moldyn *moldyn,char *filebase);
 int visual_bonds_process(t_moldyn *moldyn,t_atom *itom,t_atom *jtom,
                          void *data,u8 bc);
+#ifdef PTHREADS
+void *visual_atoms(void *ptr);
+#else
 int visual_atoms(t_moldyn *moldyn);
+#endif
 
 int fpu_set_rtd(void);