int cells; /* total amount of cells */
double len; /* prefered cell edge length */
double x,y,z; /* the actual cell lengthes */
+#ifdef STATIC_LISTS
+ int **subcell; /* pointer to the cell lists */
+#else
t_list *subcell; /* pointer to the cell lists */
+#endif
int dnlc; /* direct neighbour lists counter */
} t_linkcell;
+#define MAX_ATOMS_PER_LIST 20
+
/* moldyn schedule structure */
typedef struct s_moldyn_schedule {
int count;
int link_cell_init(t_moldyn *moldyn,u8 vol);
int link_cell_update(t_moldyn *moldyn);
+#ifdef STATIC_LISTS
+int link_cell_neighbour_index(t_moldyn *moldyn,int i,int j,int k,int **cell);
+#else
int link_cell_neighbour_index(t_moldyn *moldyn,int i,int j,int k,t_list *cell);
+#endif
int link_cell_shutdown(t_moldyn *moldyn);
typedef int (*set_hook)(void *,void *);
int moldyn_bc_check(t_moldyn *moldyn);
+int moldyn_read_save_file(t_moldyn *moldyn,char *file);
+int moldyn_load(t_moldyn *moldyn);
int get_line(int fd,char *line,int max);
+int pair_correlation_init(t_moldyn *moldyn,double dr);
+int calculate_pair_correlation(t_moldyn *moldyn,double dr,void *ptr);
+
int visual_init(t_moldyn *moldyn,char *filebase);
int visual_atoms(t_moldyn *moldyn);